Ent-Bexlosteride

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Properties Simple | Detailed

Formula C14H16ClNO
IUPAC Name (4as,10bs)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
Molecular Mass 249.736 g·mol−1
Heat of Formation -185.0 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 292.69 Å 3
Surface Area 260.96 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,10bs)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
  • 8-chloro-4-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinolin-3(2h)-one
  • benzo(f)quinolin-3(2h)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans-
  • ly 191704
  • ly-191704
CAS Number(s)
  • 146117-78-4
InChIKey WQBIOEFDDDEARX-STQMWFEESA-N
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Elements H C N O Cl