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

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Formula C15H12F3N4O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]benzimidazol-1-ium-3a-ylium-2-yl]-4-(trifluoromethoxy)phenolate
Molecular Mass 337.277 g·mol−1
Heat of Formation -567.0 ± 16.7 kJ·mol−1
Dipole Moment 25.16 ± 1.08 D
Volume 345.58 Å 3
Surface Area 320.8 Å 2
HOMO Energy -7.30 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
InChIKey PJUALJXOBAXGBO-UHFFFAOYSA-N
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