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

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Formula C18H21N4O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]benzimidazol-1-ium-3a-ylium-2-yl]-6-isobutoxy-phenolate
Molecular Mass 325.385 g·mol−1
Heat of Formation 134.3 ± 16.7 kJ·mol−1
Dipole Moment 20.50 ± 1.08 D
Volume 389.12 Å 3
Surface Area 356.78 Å 2
HOMO Energy -6.40 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
InChIKey HSHVHNIOQTZSOQ-UHFFFAOYSA-N
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