2-(2,5-Dinitro-1H-Pyrrol-1-Yl)-N,N-Diethylacetamide

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Properties Simple | Detailed

Formula C10H14N4O5
IUPAC Name 2-(2,5-dinitropyrrol-1-ium-5-ylium-1-yl)-n,n-diethyl-acetamide
Molecular Mass 270.242 g·mol−1
Heat of Formation -121.2 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 307.94 Å 3
Surface Area 269.35 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-1-acetamide, n,n-diethyl-2,5-dinitro-
  • 2-(2,5-dinitro-1-pyrrolyl)-n,n-diethylacetamide
  • 2-(2,5-dinitropyrrol-1-yl)-n,n-diethyl-acetamide
  • 2-(2,5-dinitropyrrol-1-yl)-n,n-diethyl-ethanamide
  • 2-(2,5-dinitropyrrol-1-yl)-n,n-diethylacetamide
  • n,n-diethyl-2,5-dinitropyrrole-1-acetamide
CAS Number(s)
  • 78232-31-2
InChIKey QLQGYCCQWPPINJ-UHFFFAOYSA-N
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