1-(((5-Nitro-2-Furyl)Methylene)Amino)-1,2,4-Triazole

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Properties Simple | Detailed

Formula C7H5N5O3
IUPAC Name 1-(5-nitrofuran-2-yl)-n-(1,2,4-triazol-1-yl)methanimine
Molecular Mass 207.146 g·mol−1
Heat of Formation 388.2 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 217.43 Å 3
Surface Area 221.69 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry Cs
Synonyms
  • (e)-(5-nitro-2-furyl)methylene-(1,2,4-triazol-1-yl)amine
  • 1,2,4-triazole, 1-(((5-nitro-2-furyl)methylene)amino)-
  • 1-(5-nitro-2-furyl)-n-(1,2,4-triazol-1-yl)methanimine
  • 1-nfmat
  • 1h-1,2,4-triazol-1-amine, n-[(1e)-(5-nitro-2-furanyl)methylene]-
  • n-[(1e)-(5-nitro-2-furyl)methylene]-1h-1,2,4-triazol-1-amine
CAS Number(s)
  • 111041-97-5
InChIKey QNALNSKMFDNVKC-YCRREMRBSA-N
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