N-Benzyl-2-[7-(2-Fluoroethyl)-8-Oxo-2-Phenyl-Purine-1,3-Diium-5-Id-9-Yl]-N-Methyl-Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C23H22FN5O2 |
| IUPAC Name | n-benzyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenyl-purine-1,3-diium-5-id-9-yl]-n-methyl-acetamide |
| Molecular Mass | 419.452 g·mol−1 |
| Heat of Formation | -119.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.31 ± 1.08 D |
| Volume | 496.13 Å 3 |
| Surface Area | 372.77 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | 2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DTJRZANLQLKBFL-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H C N O F |