3-[(3-Chlorophenoxy)Methyl]-1-Tetrahydropyran-4-Yl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C17H18ClN5O2 |
| IUPAC Name | 3-[(3-chlorophenoxy)methyl]-1-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine |
| Molecular Mass | 359.810 g·mol−1 |
| Heat of Formation | 9.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.81 ± 1.08 D |
| Volume | 399.97 Å 3 |
| Surface Area | 357.29 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | -0.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DIGWDAWBMHHMCF-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H C Cl O N |