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

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Formula C26H20N4O3
IUPAC Name 6-(4-benzyloxyphenyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridin-1-ium-2-ide-4-carboxylic acid
Molecular Mass 436.462 g·mol−1
Heat of Formation 134.7 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 507.35 Å 3
Surface Area 444.3 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey LEKPQTJLNDALBT-UHFFFAOYSA-N
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