1-Cyclopentyl-6-[(1R)-1-[3-(5H-Pyrimidine-1,3-Diium-5-Id-2-Yl)Azetidin-1-Yl]Ethyl]-5H-Pyrazolo[3,4-D]Pyrimidin-7-Ium-3A-Id-4-One

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Properties Simple | Detailed

Formula C19H25N7O+
IUPAC Name 1-cyclopentyl-6-[(1r)-1-[3-(5h-pyrimidine-1,3-diium-5-id-2-yl)azetidin-1-yl]ethyl]-5h-pyrazolo[3,4-d]pyrimidin-7-ium-3a-id-4-one
Molecular Mass 367.448 g·mol−1
Heat of Formation 299.5 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 437.12 Å 3
Surface Area 381.25 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey RTVHAFYWIXLQSL-GFCCVEGCSA-P
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