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

1 | H | 1 | 1.0078 | 99.9844 | 48 | 48.3756 |

6 | C | 12 | 12.0000 | 98.9000 | 24 | 288.0000 |

7 | N | 14 | 14.0031 | 99.6340 | 8 | 112.0246 |

Total | 80 | 448.4002 | ||||

Isotopomer Natural Abundance (%) | 73.9127 |

E | 8C_{3} |
6C_{2} |
6C_{4} |
3C_{2} |
---|---|---|---|---|

80 | 2 | 0 | 0 | 0 |

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

4 | 4 | 6 | 10 | 10 |

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

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

1 | C_{3} |
3 | 8 | N | yes | yes | ^{15}N | 449.3972 | 2.1721 |

2 | C_{1} |
1 | 24 | C | yes | yes | ^{13}C | 449.4035 | 19.7300 |

3 | C_{1} |
1 | 24 | H | yes | yes | ^{2}H | 449.4065 | 0.2768 |

4 | C_{1} |
1 | 24 | H | yes | yes | ^{2}H | 449.4065 | 0.2768 |

Total Number of Atoms: | 80 | ✅ Correct Number of Atoms found |

**Subgroup of point group O

***Calculated as h( O)/h(Site Symmetry)

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

Replacement | Pattern | Chiral Isomers |
---|---|---|

Single | X | 4 |

Double | X_{2} | 147 |

Double | XY | 264 |

Triple | X_{3} | 3.432 |

Triple | X_{2}Y | 10.270 |

Triple | XYZ | 20.540 |

Quadruple | X_{4} | 66.214 |

Quadruple | X_{3}Y | 263.614 |

Quadruple | X_{2}Y_{2} | 395.980 |

Quadruple | X_{2}YZ | 790.790 |

Quadruple | WXYZ | 1.581.580 |

Quintuple | X_{5} | 1.001.676 |

Quintuple | VWXYZ | 120.200.080 |

Sextuple | X_{6} | 12.524.655 |

Sextuple | UVWXYZ | 9.015.006.000 |

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

Isomer Counting using Point Group Symmetry

Last update November, 13