3-[(4-{1-[2-(4-Aminophenyl)-2-Oxoethyl]-1H-Benzimidazol-2-Yl}-1,2,5-Oxadiazol-3-Yl)Amino]Propanenitrile

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Formula C20H17N7O2
IUPAC Name 3-[[4-[1-[2-(4-aminophenyl)-2-oxo-ethyl]benzimidazol-1-ium-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile
Molecular Mass 387.395 g·mol−1
Heat of Formation 489.4 ± 16.7 kJ·mol−1
Dipole Moment 10.50 ± 1.08 D
Volume 447.31 Å 3
Surface Area 397.93 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
InChIKey LSFOZQQVTWFMNS-UHFFFAOYSA-N
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