3-[5-(1H-Imidazol-1-Yl)-7-Methyl-1H-Benzimidazol-2-Yl]-4-[(2-Pyridinylmethyl)Amino]-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C22H22N7O+
IUPAC Name 3-[5-(4h-imidazol-1-ium-4-id-3-yl)-7-methyl-1h-benzimidazol-3-ium-7a-id-2-yl]-4-(3h-pyridin-1-ium-3-id-6-ylmethylamino)pyridin-2-one
Molecular Mass 400.456 g·mol−1
Heat of Formation 330.5 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 457.01 Å 3
Surface Area 404.14 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
InChIKey GLTRPHMPCVLOJS-UHFFFAOYSA-O
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