8-Amino-3-Benzyl-7H-Purine-1,9-Diium-5-Id-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C12H12N5O
IUPAC Name 8-amino-3-benzyl-7h-purine-1,9-diium-5-id-6-one
Molecular Mass 242.257 g·mol−1
Heat of Formation 213.9 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 275.68 Å 3
Surface Area 254.37 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey SFKYPFYQCXLCJM-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N