(1R,2S,4R)-Bicyclo[2.2.2]Oct-5-Ene-2-Carbonitrile

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Properties Simple | Detailed

Formula C9H11N
IUPAC Name (1r,4r,5s)-bicyclo[2.2.2]oct-2-ene-5-carbonitrile
Molecular Mass 133.190 g·mol−1
Heat of Formation 142.7 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 175.94 Å 3
Surface Area 168.41 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r,7s)-7-bicyclo[2.2.2]oct-2-enecarbonitrile
  • (1r,4r,7s)-bicyclo[2.2.2]oct-2-ene-7-carbonitrile
InChIKey WFLYMJQGWKVLTO-HRDYMLBCSA-N
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Elements H C N