(1E,2E)-3-(5-Nitro-2-Furyl)-N-(4H-1,2,4-Triazol-4-Yl)-2-Propen-1-Imine

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Properties Simple | Detailed

Formula C9H7N5O3
IUPAC Name (e)-3-(5-nitrofuran-2-yl)-n-(1,2,4-triazol-4-yl)prop-2-en-1-imine
Molecular Mass 233.184 g·mol−1
Heat of Formation 433.1 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 255.97 Å 3
Surface Area 255.89 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(5-nitro-2-furyl)-n-(1,2,4-triazol-4-yl)prop-2-en-1-imine
  • (e)-[(e)-3-(5-nitro-2-furyl)prop-2-enylidene]-(1,2,4-triazol-4-yl)amine
  • 1-(5-nitro-2-furylacrylidenamino)-1,3,4-triazole
  • furacrylan
CAS Number(s)
  • 10048-74-5
InChIKey RXGYIXICJVGDPI-LYTCUFGASA-N
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