(2S)-3-(2-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-1-Yl)Propane-1,2-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C7H11N3O4
IUPAC Name (2s)-3-(2-methyl-5-nitro-imidazol-3-ium-5-id-1-yl)propane-1,2-diol
Molecular Mass 201.180 g·mol−1
Heat of Formation -300.3 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 226.95 Å 3
Surface Area 211.53 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey DOSHMBUPSPPBKK-LURJTMIESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N