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

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Formula C16H15N2O2
IUPAC Name 3-[3-(1h-pyrrolo[2,3-b]pyridin-7-ium-3a-id-5-yl)phenyl]propanoic acid
Molecular Mass 267.303 g·mol−1
Heat of Formation -108.3 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 314.3 Å 3
Surface Area 294.24 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
InChIKey HMZZTTNTVUPEKW-UHFFFAOYSA-O
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