(6Ar,9As)-5-Methyl-2-[4-(Trifluoromethyl)Benzyl]-5,6A,7,8,9,9A-Hexahydrocyclopenta[4,5]Imidazo[2,1-B]Purin-4(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C19H22F3N5O |
| IUPAC Name | (6ar,9as)-5-methyl-2-[4-(trifluoromethyl)benzyl]-5,6a,7,8,9,9a-hexahydrocyclopenta[4,5]imidazo[2,1-b]purin-4(1h)-one |
| Molecular Mass | 393.406 g·mol−1 |
| Heat of Formation | -508.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.14 ± 1.08 D |
| Volume | 426.66 Å 3 |
| Surface Area | 371.46 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | 2.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JOSMPBVYYKRYLG-OLZOCXBDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |