6-Chloro-3-[1-(4-Chlorobenzyl)-4-Phenyl-1H-Imidazol-5-Yl]-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C25H17Cl2N3O2
IUPAC Name 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-3-ium-5-ylium-4-yl]indol-1-ium-7a-ylium-2-carboxylic acid
Molecular Mass 462.327 g·mol−1
Heat of Formation 60.2 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 510.47 Å 3
Surface Area 398.69 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey QZJRNGXHRQJBJH-UHFFFAOYSA-N
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Elements H C N O Cl