2-[(3-Fluoro-4-Methoxyphenyl)Amino]-1-[2-(Trifluoromethyl)Benzyl]-1H-Benzimidazole-5-Carboxylic Acid

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Formula C23H17F4N3O3
IUPAC Name (2e)-2-(3-fluoro-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-1,3-diium-5-carboxylic acid
Molecular Mass 459.393 g·mol−1
Heat of Formation -953.0 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 490.59 Å 3
Surface Area 423.31 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
InChIKey KSDBWRGNYBMBEZ-UHFFFAOYSA-N
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