(6As,13Br)-11-Chloro-7-Methyl-6,6A,7,8,9,13B-Hexahydro-5H-Benzo[D]Naphtho[2,1-B]Azepin-12-Ol

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Formula C19H20ClNO
IUPAC Name (6as,7r,13br)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
Molecular Mass 313.821 g·mol−1
Heat of Formation -69.5 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 367.14 Å 3
Surface Area 309.51 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, (6as,13br)-
  • 5h-benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-
  • 6,7,7a,8,9,13b-hexahydro-3-chloro-2-hydroxy-n-methyl-5h-benzo(d)naphtho(2,1b)azepine
  • sch-39166
CAS Number(s)
  • 112108-01-7
InChIKey DMJWENQHWZZWDF-PKOBYXMFSA-N
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