(11S)-N-[(3S)-1-Azabicyclo[2.2.2]Oct-3-Yl]-6-Oxo-6,11-Dihydro-5H-Dibenzo[B,E]Azepine-11-Carboxamide

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Properties Simple | Detailed

Formula C22H23N3O2
IUPAC Name (11s)-6-oxo-n-[(3s)-quinuclidin-3-yl]-5,11-dihydrobenzo[c][1]benzazepine-11-carboxamide
Molecular Mass 361.437 g·mol−1
Heat of Formation -136.2 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 434.75 Å 3
Surface Area 351.56 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (11s)-6-keto-n-[(3s)-quinuclidin-3-yl]-5,11-dihydrobenzo[c][2]benzazepine-11-carboxamide
  • (11s)-6-oxo-n-[(3s)-3-quinuclidinyl]-5,11-dihydrobenzo[c][2]benzazepine-11-carboxamide
  • (11s)-6-oxo-n-[(3s)-quinuclidin-3-yl]-5,11-dihydrobenzo[c][2]benzazepine-11-carboxamide
  • (11s)-n-[(8s)-1-azabicyclo[2.2.2]octan-8-yl]-6-oxo-5,11-dihydrobenzo[c][2]benzazepine-11-carboxamide
InChIKey UDOYPNBXGCVNFY-UXHICEINSA-N
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