4-Amino-N-[(4S,5S)-1-Azabicyclo[3.3.1]Non-4-Yl]-5-Chloro-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C16H22ClN3O2
IUPAC Name 4-amino-n-[(1s,4s,5s)-1-azabicyclo[3.3.1]nonan-4-yl]-5-chloro-2-methoxy-benzamide
Molecular Mass 323.818 g·mol−1
Heat of Formation -331.5 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 377.25 Å 3
Surface Area 324.16 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-n-1-azabicyclo(3.3.1)non-4-yl-5-chloro-2-methoxybenzamide endo-
  • 4-amino-n-[(5s,6s)-1-azabicyclo[3.3.1]nonan-6-yl]-5-chloro-2-methoxy-benzamide
  • 4-amino-n-[(5s,6s)-1-azabicyclo[3.3.1]nonan-6-yl]-5-chloro-2-methoxybenzamide
  • benzamide, 4-amino-n-1-azabicyclo(3.3.1)non-4-yl-5-chloro-2-methoxy-, endo-
CAS Number(s)
  • 112727-80-7
InChIKey GZSKEXSLDPEFPT-HZMBPMFUSA-N
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Elements H C N O Cl