5-(4-Cyano-2-Methyl-1H-Benzimidazol-1-Yl)-N-Cyclopropyl-2-Thiophenecarboxamide

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Formula C17H14N4OS
IUPAC Name 5-(4-cyano-2-methyl-benzimidazol-1-ium-2-ylium-1-yl)-n-cyclopropyl-3h-thiophen-1-ium-3-ide-2-carboxamide
Molecular Mass 322.384 g·mol−1
Heat of Formation 375.6 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 372.17 Å 3
Surface Area 340.98 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
InChIKey XRXYHTFKWSMTFI-UHFFFAOYSA-N
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