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

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Formula C18H20ClN4O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]-6-chloro-benzimidazol-1-ium-3a-ylium-2-yl]-6-isobutoxy-phenolate
Molecular Mass 359.830 g·mol−1
Heat of Formation 82.7 ± 16.7 kJ·mol−1
Dipole Moment 18.73 ± 1.08 D
Volume 411.55 Å 3
Surface Area 372.65 Å 2
HOMO Energy -6.53 ± 0.55 eV
LUMO Energy -2.30 ± eV
Point Group Symmetry C1
InChIKey RTSLVPMQUZXPBZ-UHFFFAOYSA-N
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Elements H C N O Cl