1-[4-Acetyl-6-(3-Pyridinyl)-1H-Benzimidazol-2-Yl]-3-Ethylurea

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Properties Simple | Detailed

Formula C17H17N5O2
IUPAC Name 1-[4-acetyl-6-(3-pyridyl)benzimidazol-1-ium-2-yl]-3-ethyl-urea
Molecular Mass 323.349 g·mol−1
Heat of Formation -54.1 ± 16.7 kJ·mol−1
Dipole Moment 10.18 ± 1.08 D
Volume 374.58 Å 3
Surface Area 348.84 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey KDHATIBQZJAMKQ-UHFFFAOYSA-N
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