2-{5-[Ammonio(Imino)Methyl]-1H-Benzimidazol-2-Yl}-4-Fluorophenolate

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Properties Simple | Detailed

Formula C14H12FN4O
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]benzimidazol-1-ium-3a-ylium-2-yl]-4-fluoro-phenolate
Molecular Mass 271.270 g·mol−1
Heat of Formation 88.8 ± 16.7 kJ·mol−1
Dipole Moment 23.23 ± 1.08 D
Volume 296.32 Å 3
Surface Area 279.72 Å 2
HOMO Energy -7.03 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
InChIKey JOGOACSSLJEREC-UHFFFAOYSA-N
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