N-[(3S)-1-Azabicyclo[2.2.2]Oct-3-Yl]-5-Chloro-3H-Spiro[1-Benzofuran-2,1'-Cyclohexane]-7-Carboxamide

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Properties Simple | Detailed

Formula C21H27ClN2O2
IUPAC Name 5-chloro-n-[(3s)-quinuclidin-3-yl]spiro[3h-benzofuran-2,1'-cyclohexane]-7-carboxamide
Molecular Mass 374.904 g·mol−1
Heat of Formation -381.6 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 447.53 Å 3
Surface Area 360.6 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-n-1-azabicyclo(2.2.2)oct-3-yl-5-chlorospiro(benzofuran-2(3h),1'-cyclohexane)-7-carboxamide
  • 1-acsfc
  • 5-chloro-n-[(3s)-3-quinuclidinyl]-7-spiro[3h-benzofuran-2,1'-cyclohexane]carboxamide
  • 5-chloro-n-[(3s)-quinuclidin-3-yl]spiro[3h-benzofuran-2,1'-cyclohexane]-7-carboxamide
  • n-[(8s)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-spiro[3h-1-benzofuran-2,1'-cyclohexane]-7-carboxamide
  • spiro(benzofuran-2(3h),1'-cyclohexane)-7-carboxamide, n-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-, (s)-
CAS Number(s)
  • 138663-21-5
InChIKey AERMVUPJHDNYRW-GOSISDBHSA-N
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Elements H C N O Cl