1-{(3R)-3-[4-Amino-3-(4-Phenoxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl]-1-Piperidinyl}-1-Propanone

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Formula C25H27N6O2
IUPAC Name 1-[(3r)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl]-1-piperidyl]propan-1-one
Molecular Mass 443.521 g·mol−1
Heat of Formation 125.2 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 523.5 Å 3
Surface Area 453.91 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey ROGRQCNRPWIQJN-GOSISDBHSA-N
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