(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 | C19H18F3N5O |
| IUPAC Name | (11r,15s)-8-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one |
| Molecular Mass | 389.374 g·mol−1 |
| Heat of Formation | -508.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.14 ± 1.08 D |
| Volume | 426.65 Å 3 |
| Surface Area | 371.44 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 |