(2E)-2-Cyano-3-(2,3,6,7-Tetrahydro-1H,5H-Pyrido[3,2,1-Ij]Quinolin-9-Yl)Acrylic Acid

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Properties Simple | Detailed

Formula C16H16N2O2
IUPAC Name (e)-3-(1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-2-cyano-prop-2-enoic acid
Molecular Mass 268.310 g·mol−1
Heat of Formation -131.3 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 319.8 Å 3
Surface Area 291.32 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 9-(2-carboxy-2-cyanovinyl)julolidine
  • 9-([e]-2-carboxy-2-cyanovinyl)julolidine
  • ccvj
InChIKey JXENNHTVELFRHV-NTEUORMPSA-N
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