(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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F