8-[(1S)-1-Phenylpropyl]-1,3-Dipropyl-3,7-Dihydro-1H-Purine-2,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C20H27N4O2
IUPAC Name 8-[(1s)-1-phenylpropyl]-1,3-dipropyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 355.454 g·mol−1
Heat of Formation -262.4 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 446.67 Å 3
Surface Area 386.29 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[(1s)-1-phenylpropyl]-1,3-dipropyl-7h-purine-2,6-quinone
InChIKey ZFUJDWYGRZXMJC-HNNXBMFYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N