4,5-Dicyano-1H-(1,2,3)Triazole

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Properties Simple | Detailed

Formula C4HN5
IUPAC Name 1-aza-2-azonia-3-azanidacyclopenta-1,4-diene-4,5-dicarbonitrile
Molecular Mass 119.084 g·mol−1
Heat of Formation 582.5 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 134.73 Å 3
Surface Area 146.76 Å 2
HOMO Energy -11.45 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C2v
Synonyms
  • 1h-1,2,3-triazole-4,5-dicarbonitrile
  • 2h-1,2,3-triazole-4,5-dicarbonitrile
  • 2h-triazole-4,5-dicarbonitrile
CAS Number(s)
  • 53817-16-6
InChIKey IVANFNGOSJTZFM-UHFFFAOYSA-N
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Elements H C N