(3R)-1-Azabicyclo[2.2.2]Oct-3-Yl[Bis(5-Chloro-2-Thienyl)]Methanol

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Properties Simple | Detailed

Formula C16H17Cl2NOS2
IUPAC Name bis(5-chloro-2-thienyl)-[(3r)-quinuclidin-3-yl]methanol
Molecular Mass 374.348 g·mol−1
Heat of Formation -1.2 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 400.08 Å 3
Surface Area 328.16 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r)-1-azabicyclo[2.2.2]octan-8-yl]-bis(5-chlorothiophen-2-yl)methanol
  • bis(5-chloro-2-thienyl)-[(3r)-3-quinuclidinyl]methanol
  • bis(5-chloro-2-thienyl)-[(3r)-quinuclidin-3-yl]methanol
InChIKey ZDHSJVXBNDEQSR-NSHDSACASA-N
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Elements C Cl H O N S