(2S)-N-(4-Methoxyphenyl)-2-[[1-(O-Tolyl)-4-Oxo-5H-Pyrazolo[3,4-D]Pyrimidin-7-Ium-3A-Id-6-Yl]Amino]Propanamide

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Properties Simple | Detailed

Formula C22H23N6O3
IUPAC Name (2s)-n-(4-methoxyphenyl)-2-[[1-(o-tolyl)-4-oxo-5h-pyrazolo[3,4-d]pyrimidin-7-ium-3a-id-6-yl]amino]propanamide
Molecular Mass 419.456 g·mol−1
Heat of Formation -58.4 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 487.54 Å 3
Surface Area 430.28 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey WDKQXGDWUZDIOJ-AWEZNQCLSA-P
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