2,3-Diisocyano-1-(4-Methoxyphenyl)Buta-1,3-Diene

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Properties Simple | Detailed

Formula C13H12N2O
IUPAC Name 1-[(1z)-2,3-diisocyanobuta-1,3-dienyl]-4-methoxy-benzene
Molecular Mass 212.247 g·mol−1
Heat of Formation 438.1 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 279.32 Å 3
Surface Area 264.34 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1z)-2,3-diisocyanobuta-1,3-dienyl]-4-methoxy-benzene
  • 1-[(1z)-2,3-diisocyanobuta-1,3-dienyl]-4-methoxybenzene
InChIKey KHASKWKGQQANHL-LCYFTJDESA-N
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