N-Methoxy-4-(2-Nitro-1H-Imidazol-1-Yl)Butanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C8H12N4O4
IUPAC Name n-methoxy-4-(2-nitroimidazol-1-yl)butanamide
Molecular Mass 228.205 g·mol−1
Heat of Formation -86.1 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 262.22 Å 3
Surface Area 251.73 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-1-butanamide, n-methoxy-2-nitro-
  • kin-844
  • n-methoxy-4-(2-nitro-1-imidazolyl)butanamide
  • n-methoxy-4-(2-nitroimidazol-1-yl)butyramide
CAS Number(s)
  • 140448-34-6
InChIKey CNCJKXXSGCVHLP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N