4,5-Dicyanoimidazole

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Properties Simple | Detailed

Formula C5H2N4
IUPAC Name imidazol-1-ium-5-ylium-4,5-dicarbonitrile
Molecular Mass 118.096 g·mol−1
Heat of Formation 438.0 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 139.54 Å 3
Surface Area 150.48 Å 2
HOMO Energy -10.66 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,1'-sulfonylbis(1h-imidazole)
  • 1h-imidazole, 1-(1h-imidazol-1-ylsulfonyl)-
  • 1h-imidazole-4,5-dicarbonitrile
  • 4,5-dicyanoimidazole solution
  • 4,5-imidazoledicarbonitrile
  • imidazole-4,5-dicarbonitrile
  • imidazole-4,5-dicarbonitrile solution
CAS Number(s)
  • 1122-28-7
InChIKey XGDRLCRGKUCBQL-UHFFFAOYSA-N
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Elements H C N