1-[4-(6-Aminopurine-1,3,7-Triium-9-Yl)Phenyl]-3-[5-Tert-Butyl-2-(P-Tolyl)Pyrazol-2-Ium-1-Id-3-Yl]Urea
Properties
| Property | Value |
|---|---|
| Formula | C26H27N9O |
| IUPAC Name | 1-[4-(6-aminopurine-1,3,7-triium-9-yl)phenyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-2-ium-1-id-3-yl]urea |
| Molecular Mass | 481.552 g·mol−1 |
| Heat of Formation | 427.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.82 ± 1.08 D |
| Volume | 564.83 Å 3 |
| Surface Area | 502.72 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | COYMBJSOLURAPC-UHFFFAOYSA-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 |