N-(2-Methoxyethyl)-2-(3-Nitro-1H-1,2,4-Triazol-1-Yl)Acetamide

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Properties Simple | Detailed

Formula C7H11N5O4
IUPAC Name n-(2-methoxyethyl)-2-(3-nitro-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)acetamide
Molecular Mass 229.193 g·mol−1
Heat of Formation -88.0 ± 16.7 kJ·mol−1
Dipole Moment 10.92 ± 1.08 D
Volume 254.81 Å 3
Surface Area 255.01 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-1-acetamide, n-(2-methoxyethyl)-3-nitro-
  • ak 2123
  • ak-2123
  • bas 00535149
  • n-(2-methoxy-ethyl)-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide
  • n-(2-methoxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
  • n-(2-methoxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide
  • n-(2-methoxyethyl)-3-nitro-1h-1,2,4-triazole-1-acetamide
  • sanazole
CAS Number(s)
  • 104958-90-9
InChIKey YKDRHKCETNMLHL-UHFFFAOYSA-N
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