(4As,4Br,10Bs,12As)-2-Chloro-8-Methoxy-12A-Methyl-1,4,4A,4B,5,6,10B,11,12,12A-Decahydronaphtho[2,1-F]Isoquinolin-3(2H)-One

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Formula C19H24ClNO2
IUPAC Name (4as,4br,10bs,12as)-2-chloro-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-1h-naphtho[2,1-f]isoquinolin-3-one
Molecular Mass 333.852 g·mol−1
Heat of Formation -289.2 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 393.88 Å 3
Surface Area 331.02 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,4br,10bs,12as)-2-chloro-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-1h-naphtho[2,1-f]isoquinolin-3-one
  • 17-aza-d-homoestra-1,3,5(10)-trien-16-one, 17-chloro-3-methoxy-
  • n-chloro-3-methoxy-17-azahomo-1,3,5(10)-estratrien-16-one
  • ncmaeo
CAS Number(s)
  • 119111-52-3
InChIKey PAJWCBYXZFZPAL-VXIBKDFQSA-N
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Elements H C N O Cl