(3As,3Br,9Bs,11As)-2-Chloro-7-Methoxy-11A-Methyl-2,3,3A,3B,4,5,9B,10,11,11A-Decahydro-1H-Naphtho[2,1-E]Isoindol-1-One

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Properties Simple | Detailed

Formula C18H22ClNO2
IUPAC Name (3as,3br,9bs,11as)-2-chloro-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e]isoindol-1-one
Molecular Mass 319.826 g·mol−1
Heat of Formation -233.1 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 374.24 Å 3
Surface Area 317.43 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,3br,9bs,11as)-2-chloro-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e]isoindol-1-one
  • n-chloro-3-methoxy-16-aza-1,3,5(10)-estratrien-17-one
  • ncmeo
CAS Number(s)
  • 114462-28-1
InChIKey QFNJSBBRYZHMAV-CBZIJGRNSA-N
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