Atomic Number |
Atomic Symbol |
Isotope | Isotope Mass |
Isotope Abundance |
Number Atoms |
Mass |
---|---|---|---|---|---|---|

1 | H | 1 | 1.0078 | 99.9844 | 6 | 6.0470 |

6 | C | 12 | 12.0000 | 98.9000 | 3 | 36.0000 |

8 | O | 16 | 15.9949 | 99.7620 | 3 | 47.9847 |

Total | 12 | 90.0317 | ||||

Isotopomer Natural Abundance (%) | 95.9572 |

E | 2C_{3} |
3σ_{v} |
---|---|---|

12 | 0 | 4 |

A_{1} |
A_{2} |
E |
---|---|---|

4 | 0 | 4 |

Atom Set^{*} | Site Symmetry^{**} | h(Site Symmetry) | Identical Atoms^{***} | Element | Chrial | Polar | Isotopomer | ||
---|---|---|---|---|---|---|---|---|---|

Isotope | Mass | Abundance^{****} | |||||||

1 | C_{s} |
2 | 3 | C | no | yes | ^{13}C | 91.0350 | 3.2018 |

2 | C_{s} |
2 | 3 | O | no | yes | ^{18}O^{17}O | 92.0359 91.0359 | 0.5771 0.1097 |

3 | C_{s} |
2 | 3 | H | no | yes | ^{2}H | 91.0380 | 0.044915 |

4 | C_{s} |
2 | 3 | H | no | yes | ^{2}H | 91.0380 | 0.044915 |

Total Number of Atoms: | 12 | ✅ Correct Number of Atoms found |

**Subgroup of point group C

***Calculated as h( C

****Natural Abundance of single substituted Isotopomer in %

Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
---|---|---|---|

Single | X | 4 | 0 |

Double | X_{2} | 10 | 6 |

Double | XY | 12 | 16 |

Triple | X_{3} | 20 | 28 |

Triple | X_{2}Y | 28 | 96 |

Triple | XYZ | 24 | 208 |

Quadruple | X_{4} | 31 | 67 |

Quadruple | X_{3}Y | 52 | 304 |

Quadruple | X_{2}Y_{2} | 66 | 462 |

Quadruple | X_{2}YZ | 60 | 960 |

Quadruple | WXYZ | 24 | 1.968 |

Quintuple | X_{5} | 40 | 112 |

Quintuple | VWXYZ | 0 | 15.840 |

Sextuple | X_{6} | 44 | 134 |

Sextuple | UVWXYZ | 0 | 110.880 |

- P.W. Fowler, J. Chem. Soc. Faraday Trans.
**91**(15) 2241 (1995)

Isomer Counting using Point Group Symmetry

E | 2C_{3} |
3σ_{v} |
---|---|---|

36 | 0 | 4 |

A_{1} |
A_{2} |
E |
---|---|---|

8 | 4 | 12 |

Molecular motions and force field analysis |
---|

Last update April, 29