(5S)-5-(5-Bromo-2,3-Dihydro-1-Benzofuran-7-Yl)-8-Chloro-3-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepin-7-Ol

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Properties Simple | Detailed

Formula C19H19BrClNO2
IUPAC Name (3s,5s)-5-(5-bromo-2,3-dihydrobenzofuran-7-yl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 408.717 g·mol−1
Heat of Formation -181.5 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 411.84 Å 3
Surface Area 355.82 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(5s)-5-(5-bromo-2,3-dihydro-7-benzofuranyl)-8-chloro-2,3,4,5-tetrahydro-3-methyl-1h-3-benzazepin-7-ol
  • (1s)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • (1s)-1-(5-bromo-2,3-dihydrobenzofuran-7-yl)-7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • berupipam
CAS Number(s)
  • 150490-85-0
InChIKey DIKLCFJDIZFAOM-INIZCTEOSA-N
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Elements C Cl H O N Br