4-Cyano-2-(Trifluoromethyl)-1H-Imidazole-5-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C6H3F3N4O
IUPAC Name 5-cyano-2-(trifluoromethyl)imidazol-3-ium-2-ylium-4-carboxamide
Molecular Mass 204.109 g·mol−1
Heat of Formation -524.2 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 198.63 Å 3
Surface Area 199.8 Å 2
HOMO Energy -11.05 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-carboxamide, 5-cyano-2-(trifluoromethyl)-
  • 5-cyano-2-(trifluoromethyl)-1h-imidazole-4-carboxamide
  • 5-cyano-2-(trifluoromethyl)-3h-imidazole-4-carboxamide
  • moa 16
CAS Number(s)
  • 82308-56-3
InChIKey VUHSLHQBYWUCFW-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F