2-{[4-(2-Methyl-2-Propanyl)Phenyl]Amino}-1H-Benzimidazole-5-Carbonitrile

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Properties Simple | Detailed

Formula C18H18N4
IUPAC Name 2-(4-tert-butylanilino)-3h-benzimidazole-5-carbonitrile
Molecular Mass 290.362 g·mol−1
Heat of Formation 375.5 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 362.51 Å 3
Surface Area 331.41 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey BQPYYTDDPDJCGA-UHFFFAOYSA-N
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Elements H C N