6-Phenyl-1-(4-Pyridinylmethyl)-1H-Pyrazolo[3,4-B]Pyridine-4-Carboxylic Acid

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Formula C19H16N4O2
IUPAC Name 6-phenyl-1-(3h-pyridin-1-ium-3-id-4-ylmethyl)pyrazolo[3,4-b]pyridin-7-ium-3a-ide-4-carboxylic acid
Molecular Mass 332.356 g·mol−1
Heat of Formation 196.0 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 381.75 Å 3
Surface Area 335.76 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey KCTGBSZXRNRGOD-UHFFFAOYSA-O
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