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

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Properties Simple | Detailed

Formula C19H20N4O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]benzimidazol-1-ium-3a-ylium-2-yl]-6-(cyclopentoxy)phenolate
Molecular Mass 336.388 g·mol−1
Heat of Formation 3076.1 ± 16.7 kJ·mol−1
Dipole Moment 11.06 ± 1.08 D
Volume 363.76 Å 3
Surface Area 339.13 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -3.01 ± eV
Point Group Symmetry C1
InChIKey WCFWDBPDMBXMTQ-UHFFFAOYSA-N
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