(1R,2S)-2-{[8-Oxo-2-(1H-Pyrazol-4-Yl)-5,8-Dihydropyrido[3,4-D]Pyrimidin-4-Yl]Amino}Cyclopentanecarbonitrile

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Formula C16H15N7O
IUPAC Name (1r,2s)-2-[[8-oxo-2-(1h-pyrazol-4-yl)-5h-pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentanecarbonitrile
Molecular Mass 321.337 g·mol−1
Heat of Formation 405.8 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 371.46 Å 3
Surface Area 329.39 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
InChIKey GGNYHYINELGWQU-CABZTGNLSA-N
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