Formula |
C29H23ClN6O2 |
IUPAC Name |
4-[2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-(3-imidazol-1-ylpropyl)benzimidazol-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 |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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