N-[3-(1H-Benzimidazol-2-Yl)-1H-Pyrazol-4-Yl]Benzamide

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Properties Simple | Detailed

Formula C17H13N5O
IUPAC Name n-[5-(benzimidazol-1-ium-2-yl)-3h-pyrazol-2-ium-3-ylium-4-yl]benzamide
Molecular Mass 303.318 g·mol−1
Heat of Formation 338.4 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 343.84 Å 3
Surface Area 318.34 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry Cs
InChIKey FPKSFXFWECAIBR-UHFFFAOYSA-N
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