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
Properties
Property | Value |
---|---|
Formula | C25H28N6O2 |
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 | 444.529 g·mol−1 |
Heat of Formation | 127.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.05 ± 1.08 D |
Volume | 525.85 Å 3 |
Surface Area | 453.41 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -0.93 ± eV |
Point Group Symmetry | C1 |
InChIKey | SXAIKSRTQHQFKI-GOSISDBHSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |