2-{5-[Ammonio(Imino)Methyl]-6-Fluoro-1H-Benzimidazol-2-Yl}-6-Isobutoxyphenolate

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Properties Simple | Detailed

Formula C18H19FN4O2
IUPAC Name 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)benzimidazol-1-ium-3a-ylium-5-carboxamidine
Molecular Mass 342.367 g·mol−1
Heat of Formation -225.3 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 396.66 Å 3
Surface Area 363.07 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey NSUDDASMRZSVON-UHFFFAOYSA-N
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