2-Methyl-5-Nitroimidazole-1-Propanol

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Properties Simple | Detailed

Formula C7H11N3O3
IUPAC Name 3-(2-methyl-5-nitro-imidazol-1-ium-2-ylium-1-yl)propan-1-ol
Molecular Mass 185.181 g·mol−1
Heat of Formation -124.9 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 218.24 Å 3
Surface Area 208.53 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-methyl-5-nitro-1-imidazolyl)propan-1-ol
  • 3-(2-methyl-5-nitro-imidazol-1-yl)propan-1-ol
  • 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
  • ternidazole
CAS Number(s)
  • 1077-93-6
InChIKey DUOHVNSMLSPTMI-UHFFFAOYSA-N
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