(2Z,3E)-5-Methyl-2-[(1-Methyl-1H-Indol-3-Yl)Methylene]-3,5-Hexadienenitrile

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Properties Simple | Detailed

Formula C17H16N2
IUPAC Name (2z,3e)-5-methyl-2-[(1-methylindol-1-ium-3-yl)methylene]hexa-3,5-dienenitrile
Molecular Mass 248.322 g·mol−1
Heat of Formation 421.3 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 323.67 Å 3
Surface Area 305.2 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,3e)-5-methyl-2-[(1-methyl-3-indolyl)methylene]hexa-3,5-dienenitrile
  • (2z,3e)-5-methyl-2-[(1-methylindol-3-yl)methylene]hexa-3,5-dienenitrile
  • (2z,3e)-5-methyl-2-[(1-methylindol-3-yl)methylidene]hexa-3,5-dienenitrile
InChIKey ULSUVNSFRAUVIX-RBDUQRJVSA-N
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Elements H C N