Sb-612,111

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Properties Simple | Detailed

Formula C24H29Cl2NO
IUPAC Name (5s,7s)-7-[[4-(2,6-dichlorophenyl)-1-piperidyl]methyl]-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol
Molecular Mass 418.399 g·mol−1
Heat of Formation -202.4 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 498.75 Å 3
Surface Area 409.67 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[[4-(2,6-dichlorophenyl)-1-piperidinyl]methyl]-4-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-9-ol
  • (7s,9s)-7-[[4-(2,6-dichlorophenyl)-1-piperidyl]methyl]-4-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-9-ol
  • (7s,9s)-7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-4-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-9-ol
InChIKey OHRDCQFCAWLDBP-SBUREZEXSA-N
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Elements H C N O Cl