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

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Formula C18H18ClNO
IUPAC Name (6ar,13bs)-11-chloro-6,6a,7,8,9,13b-hexahydro-5h-naphtho[1,2-a][3]benzazepin-12-ol
Molecular Mass 299.795 g·mol−1
Heat of Formation -70.8 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 347.06 Å 3
Surface Area 297.81 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 11-chloro-6,6a,7,8,9,13b-hexahydro-5h-benzo(d)naphth(2,1-b)azepine-12-ol
  • 5h-benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-, trans-
  • sch 40853
  • sch-40853
CAS Number(s)
  • 129672-23-7
InChIKey NVHUFRKDLSFBFZ-AEFFLSMTSA-N
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Elements H C N O Cl