(1R,6R)-2-(6-Chloro-3-Pyridinyl)-9-Azabicyclo[4.2.1]Non-2-Ene

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Properties Simple | Detailed

Formula C13H15ClN2
IUPAC Name (1r,6r)-5-(6-chloro-3-pyridyl)-9-azabicyclo[4.2.1]non-4-ene
Molecular Mass 234.725 g·mol−1
Heat of Formation 138.2 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 277.89 Å 3
Surface Area 249.59 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6r)-5-(6-chloro-3-pyridyl)-9-azabicyclo[4.2.1]non-4-ene
  • (1r,6r)-5-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]non-4-ene
  • ub-165
InChIKey TVSNVPGPFGAKPT-ZYHUDNBSSA-N
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Elements H C N Cl