1,4-Dinitro-2,3-Diphenyl-2-Butene

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Properties Simple | Detailed

Formula C16H14N2O4
IUPAC Name [(e)-3-nitro-1-(nitromethyl)-2-phenyl-prop-1-enyl]benzene
Molecular Mass 298.293 g·mol−1
Heat of Formation 147.7 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 347.41 Å 3
Surface Area 293.19 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • [(e)-1,4-dinitro-3-phenyl-but-2-en-2-yl]benzene
  • [(e)-1,4-dinitro-3-phenylbut-2-en-2-yl]benzene
  • [(e)-3-nitro-1-(nitromethyl)-2-phenyl-prop-1-enyl]benzene
  • [(e)-3-nitro-1-(nitromethyl)-2-phenylprop-1-enyl]benzene
  • benzene, 1,1'-(1,2-bis(nitromethyl)-1,2-ethenediyl)bis-, (2s-(2alpha,5alpha,6beta(s*)))-
  • dndpb
CAS Number(s)
  • 94608-59-0
InChIKey IGEOBDZXZZSNIP-FOCLMDBBSA-N
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