## II.A.1. (XV.A.) |

INChI | SMILES | IUPAC name |
---|---|---|

InChI=1/C2H7N3O/c1-3-7-5-2-6-8-4-1/h1-5H/b3-1- | NC=N.NC=O |

State | Conformation |
---|---|

^{1}A |
C1 |

Enthalpy of formation (Hfg),
Entropy,
Integrated heat capacity (0 K to 298.15 K) (HH),
Heat Capacity (Cp)

Information can also be found for this species in the
NIST Chemistry Webbook

Property | Value | Uncertainty | units | Reference | Comment |
---|

Vibrational levels (cm^{-1})

Calculated vibrational frequencies for HCONH_{2}CN_{2}H_{4} (formamide aminomethanimine dimer).

Mode Number | Symmetry | Frequency (cm^{-1}) |
Frequency Reference | Intensity (km mol^{-1}) |
Int. unc. | Intensity Reference | Comment |
---|

Calculated vibrational frequencies for HCONH

Rotational Constants (cm^{-1})

See section I.F.4 to change rotational constant units

Calculated rotational constants for HCONH_{2}CN_{2}H_{4} (formamide aminomethanimine dimer).

See section I.F.4 to change rotational constant units

A | B | C | reference | comment |
---|

Calculated rotational constants for HCONH

Product of moments of inertia | ||||
---|---|---|---|---|

amu^{3}Å^{6} |
0 | gm^{3} cm^{6} |

Geometric Data

Calculated geometries for HCONH_{2}CN_{2}H_{4} (formamide aminomethanimine dimer).

Point Group C_{s}

Internal coordinates

distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description | Value | unc. | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|---|

Atom 1 | Atom 2 | Atom 3 | Atom 4 |

Cartesians

Atom | x (Å) | y (Å) | z (Å) |
---|

Atom - Atom Distances

Distances in Å

Calculated geometries for HCONH

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type | Count |
---|---|

H-C | 2 |

H-N | 5 |

H.O | 1 |

H.N | 1 |

C-N | 2 |

C=N | 1 |

C=O | 1 |

Connectivity

Atom 1 | Atom 2 |
---|---|

H1 | N2 |

H1 | N3 |

N2 | C4 |

N2 | H9 |

N3 | C6 |

N3 | H11 |

C4 | O5 |

C4 | H10 |

O5 | H8 |

C6 | N7 |

C6 | H12 |

N7 | H8 |

N7 | H13 |

Electronic energy levels (cm^{-1})

Energy (cm^{-1}) |
Degeneracy | reference | description |
---|---|---|---|

0 | 1 | ^{1}A |

Dipole, Quadrupole and Polarizability

Electric dipole moment

Calculated electric dipole moments for HCONH_{2}CN_{2}H_{4} (formamide aminomethanimine dimer).

Electric quadrupole moment

Calculated electric quadrupole moments for HCONH_{2}CN_{2}H_{4} (formamide aminomethanimine dimer).

Electric dipole moment

Calculated electric dipole moments for HCONH

Electric quadrupole moment

Calculated electric quadrupole moments for HCONH

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