2-{5-[Ammonio(Imino)Methyl]-6-Fluoro-1H-Benzimidazol-2-Yl}-6-{[(1S,2S)-2-Methylcyclohexyl]Oxy}Phenolate

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Formula C21H23FN4O2
IUPAC Name 6-fluoro-2-[2-hydroxy-3-[(1s,2r)-2-methylcyclohexoxy]phenyl]-1h-benzimidazole-5-carboxamidine
Molecular Mass 382.431 g·mol−1
Heat of Formation 2867.8 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 387.18 Å 3
Surface Area 349.17 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey CMCDWLMEDRBWIR-GTNSWQLSSA-N
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