(5S)-5-(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 C19H18ClNO2
IUPAC Name (3s,5s)-5-(benzofuran-7-yl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 327.805 g·mol−1
Heat of Formation -95.6 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 375.84 Å 3
Surface Area 326.0 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(1-benzofuran-7-yl)-7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • (1s)-1-(7-benzofuranyl)-7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • (1s)-1-(benzofuran-7-yl)-7-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
  • 1h-3-benzazepin-7-ol, 5-(7-benzofuranyl)-8-chloro-2,3,4,5-tetrahydro-3-methyl-, (s)-
  • 8-chloro-7-hydroxy-3-methyl-5-(7-benzofuranyl)-2,3,4,5-tetrahydro-1h-3-benzazepine
  • nnc 112
  • nnc-112
  • no-112
CAS Number(s)
  • 125341-24-4
InChIKey RUSANBIFMAXXSJ-MRXNPFEDSA-N
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