3-[4-Amino-1-(1-Prop-2-Enoyl-3-Piperidyl)Pyrazolo[3,4-D]Pyrimidin-3-Yl]-N-(3-Tert-Butylphenyl)Benzamide

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Properties Simple | Detailed

Formula C30H34N7O2
IUPAC Name 3-[4-amino-1-[(3r)-1-prop-2-enoyl-3-piperidyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-n-(3-tert-butylphenyl)benzamide
Molecular Mass 524.637 g·mol−1
Heat of Formation 122.7 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 637.62 Å 3
Surface Area 538.99 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey RMAUIYTVKFMOGP-HSZRJFAPSA-N
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