3-[4-Amino-1-[(3R)-1-Propanoyl-3-Piperidyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl]-N-(4-Isopropylphenyl)Benzamide

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Properties Simple | Detailed

Formula C29H33N7O2
IUPAC Name 3-[4-amino-1-[(3r)-1-propanoyl-3-piperidyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-n-(4-isopropylphenyl)benzamide
Molecular Mass 511.618 g·mol−1
Heat of Formation 20.4 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 617.71 Å 3
Surface Area 531.21 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey VHBGVUGJOHEQMH-HSZRJFAPSA-O
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