7-(Aminomethyl)-6-(2-Chlorophenyl)-1-Methyl-1H-Benzimidazole-5-Carbonitrile

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Properties Simple | Detailed

Formula C16H13ClN4
IUPAC Name 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-benzimidazol-1-ium-7a-ylium-5-carbonitrile
Molecular Mass 296.754 g·mol−1
Heat of Formation 383.3 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 342.4 Å 3
Surface Area 288.45 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey YJLVMTVZVJSNHG-UHFFFAOYSA-N
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Elements H C Cl N