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Formula C19H20ClNO2
IUPAC Name (3s,5s)-8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 329.821 g·mol−1
Heat of Formation -198.0 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 382.85 Å 3
Surface Area 331.76 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • ( )-(s)-8-chloro-5-(2,3-dihydro-7-benzofuranyl)-2,3,4,5-tetrahydro-3-methyl-1h-3-benzazepin-7-ol
  • (1s)-7-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • (1s)-7-chloro-1-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • nnc 01-0756
CAS Number(s)
  • 131796-63-9
InChIKey SKMVRXPBCSTNKE-MRXNPFEDSA-N
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Elements H C N O Cl