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

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Properties Simple | Detailed

Formula C26H18N4O3
IUPAC Name 6-(4-benzoylphenyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridin-1-ium-4-carboxylic acid
Molecular Mass 434.446 g·mol−1
Heat of Formation 163.2 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 501.21 Å 3
Surface Area 432.72 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
InChIKey PTCVSDDJAQNAKH-UHFFFAOYSA-N
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