4-{2-[3-(3-Chlorophenyl)-1H-Pyrazol-4-Yl]-1-[3-(1H-Imidazol-1-Yl)Propyl]-1H-Benzimidazol-5-Yl}Benzoic Acid

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Properties Simple | Detailed

Formula C29H23ClN6O2
IUPAC Name 4-[2-[5-(3-chlorophenyl)pyrazol-1-ium-2-id-4-yl]-1-[3-(4h-imidazol-3-ium-4-ylium-3-yl)propyl]benzimidazol-1-ium-5-yl]benzoic acid
Molecular Mass 522.985 g·mol−1
Heat of Formation 326.6 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 599.91 Å 3
Surface Area 505.11 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey LGXPZODGTPYYBU-UHFFFAOYSA-N
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