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

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Formula C20H15N2O2
IUPAC Name 4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-7-ium-3a-id-3-yl)benzoic acid
Molecular Mass 315.345 g·mol−1
Heat of Formation 41.9 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 361.98 Å 3
Surface Area 330.38 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey KSFDVNIKNYXUIP-UHFFFAOYSA-O
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