(-)-Epibatidine

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Properties Simple | Detailed

Formula C11H13ClN2
IUPAC Name (1s,2s,4r)-2-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
Molecular Mass 208.687 g·mol−1
Heat of Formation 139.1 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 244.83 Å 3
Surface Area 225.57 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,4r)-epibatidine
  • (1s,4r,6s)-6-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
  • (1s,4r,6s)-6-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
  • (1s-exo)-2-(6-chloro-3-pyridinyl)-7-azabicyclo(2.2.1)heptane
  • 7-azabicyclo(2.2.1)heptane, 2-(6-chloro-3-pyridinyl)-, (1s-exo)-
  • cmi 477
  • tocris-0684
CAS Number(s)
  • 152378-30-8
InChIKey NLPRAJRHRHZCQQ-UTLUCORTSA-N
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Elements H C N Cl