1-(2-Hydroxyethyl)-5-Nitro-3H-Pyrrol-1-Ium-3-Ide-2-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C7H7N3O3
IUPAC Name 1-(2-hydroxyethyl)-5-nitro-3h-pyrrol-1-ium-3-ide-2-carbonitrile
Molecular Mass 181.149 g·mol−1
Heat of Formation 53.9 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 204.83 Å 3
Surface Area 196.39 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey JHXAKYHRZINWDZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N