4,4'-(1H-Imidazol-1-Ylmethylene)Dibenzonitrile

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Properties Simple | Detailed

Formula C18H12N4
IUPAC Name 4-[(4-cyanophenyl)-(4h-imidazol-3-ium-4-ylium-3-yl)methyl]benzonitrile
Molecular Mass 284.315 g·mol−1
Heat of Formation 621.6 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 349.25 Å 3
Surface Area 311.94 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-cyanophenyl)-(1-imidazolyl)methyl]benzonitrile
  • 4-[(4-cyanophenyl)-imidazol-1-yl-methyl]benzonitrile
  • 4-[(4-cyanophenyl)-imidazol-1-ylmethyl]benzonitrile
InChIKey NRXVWQIGPASRKU-UHFFFAOYSA-N
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Elements H C N