(1S,2R,4R)-2-(6-Chloro-3-Pyridinyl)-7-Azabicyclo[2.2.1]Heptane

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Properties Simple | Detailed

Formula C11H13ClN2
IUPAC Name (1s,2r,4r)-2-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
Molecular Mass 208.687 g·mol−1
Heat of Formation 144.3 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 242.28 Å 3
Surface Area 222.72 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r,6r)-6-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
  • (1s,4r,6r)-6-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
InChIKey NLPRAJRHRHZCQQ-BBBLOLIVSA-N
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Elements H C N Cl