1-[(3R)-3-[4-Amino-3-(4-Phenoxyphenyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-1-Yl]-1-Piperidyl]Prop-2-En-1-One
Properties
| Property | Value |
|---|---|
| Formula | C25H24N6O2 |
| IUPAC Name | 1-[(3r)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl]-1-piperidyl]prop-2-en-1-one |
| Molecular Mass | 440.497 g·mol−1 |
| Heat of Formation | 245.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.98 ± 1.08 D |
| Volume | 522.98 Å 3 |
| Surface Area | 448.81 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | 2.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MKTKWOAVQUDEOQ-GOSISDBHSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |