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

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Properties Simple | Detailed

Formula C6H9N5O4
IUPAC Name n-(2-hydroxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Molecular Mass 215.167 g·mol−1
Heat of Formation -94.2 ± 16.7 kJ·mol−1
Dipole Moment 8.84 ± 1.08 D
Volume 236.38 Å 3
Surface Area 230.68 Å 2
HOMO Energy -10.65 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-1-acetamide, n-(2-hydroxyethyl)-3-nitro-
  • n-(2-hydroxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide
  • oprea1_581799
  • rb-6110
CAS Number(s)
  • 104958-85-2
InChIKey CGPOHMMXMBLSOS-UHFFFAOYSA-N
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