1-[(4-Aminocyclohexyl)Methyl]-N-Butyl-3-(4-Fluorophenyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C22H31FN6 |
| IUPAC Name | 1-[(4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-amine |
| Molecular Mass | 398.520 g·mol−1 |
| Heat of Formation | 91.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.53 ± 1.08 D |
| Volume | 491.47 Å 3 |
| Surface Area | 437.11 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | 2.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VBLBSUJFAWGACR-RZDIXWSQSA-O |
| QR Code | Generate QR Code |
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| Elements | H C N F |