1,3-Dimethyl-7-[4-(2-Nitro-4H-Imidazol-1-Ium-4-Id-3-Yl)Butyl]Purin-9-Ium-5-Ide-2,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19N7O4
IUPAC Name 1,3-dimethyl-7-[4-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)butyl]purin-9-ium-5-ide-2,6-dione
Molecular Mass 349.345 g·mol−1
Heat of Formation -57.9 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 392.21 Å 3
Surface Area 349.08 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey JJJVULUZCDHYNS-UHFFFAOYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N