2-Cyclopentyl-4-(5-Phenyl-1H-Pyrrolo[2,3-B]Pyridin-3-Yl)Benzoic Acid

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Formula C25H22N2O2
IUPAC Name 2-cyclopentyl-4-(5-phenyl-2h-pyrrolo[2,3-b]pyridin-1-ium-2-ylium-3-yl)benzoic acid
Molecular Mass 382.454 g·mol−1
Heat of Formation -43.3 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 463.93 Å 3
Surface Area 388.72 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey WVSBGSNVCDAMCF-UHFFFAOYSA-N
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