Methyl 3-Cyclopentyl-1,6-Dimethyl-4-(3-Nitrophenyl)-2,4-Dihydro-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylate

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Formula C21H25N4O4
IUPAC Name methyl (4r)-3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-4h-pyrazolo[3,4-b]pyridine-1,2,7-triium-5-ide-5-carboxylate
Molecular Mass 397.448 g·mol−1
Heat of Formation -96.2 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 470.36 Å 3
Surface Area 379.84 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey UAXYSZUIYWEWRR-QGZVFWFLSA-N
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