3-[(4-Amino-3-Methyl-Phenyl)Methyl]-7-(2-Furyl)Triazolo[4,5-D]Pyrimidine-3,4,6-Triium-5-Amine
Properties
| Property | Value |
|---|---|
| Formula | C16H15N7O |
| IUPAC Name | 3-[(4-amino-3-methyl-phenyl)methyl]-7-(2-furyl)triazolo[4,5-d]pyrimidine-3,4,6-triium-5-amine |
| Molecular Mass | 321.337 g·mol−1 |
| Heat of Formation | 459.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.85 ± 1.08 D |
| Volume | 368.86 Å 3 |
| Surface Area | 328.95 Å 2 |
| HOMO Energy | -8.38 ± 0.55 eV |
| LUMO Energy | -1.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LYXHXGAPSUOBIF-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H C O N |