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