1-Cyclopentyl-6-[(1R)-1-(3-Phenoxyazetidin-1-Yl)Ethyl]-5H-Pyrazolo[3,4-D]Pyrimidin-7-Ium-3A-Id-4-One

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Properties Simple | Detailed

Formula C21H26N5O2
IUPAC Name 1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-5h-pyrazolo[3,4-d]pyrimidin-7-ium-3a-id-4-one
Molecular Mass 380.463 g·mol−1
Heat of Formation 53.5 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 465.23 Å 3
Surface Area 364.07 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey KUYSXGAYXVHMTF-CQSZACIVSA-P
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