N-(4-Dimethylphosphorylphenyl)-9-[(E)-2-(5-Methylindazol-1-Ium-7A-Ylium-4-Yl)Vinyl]Purine-1,3,7-Triium-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C23H24N7OP |
| IUPAC Name | n-(4-dimethylphosphorylphenyl)-9-[(e)-2-(5-methylindazol-1-ium-7a-ylium-4-yl)vinyl]purine-1,3,7-triium-6-amine |
| Molecular Mass | 445.457 g·mol−1 |
| Heat of Formation | 379.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.91 ± 1.08 D |
| Volume | 506.82 Å 3 |
| Surface Area | 451.52 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | 1.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FMWMMHQSQIRVAC-ZHACJKMWSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |