6-Chloro-3-Methyl-9-[(3-Methyl-2-Buten-1-Yl)Oxy]-2,3,4,5-Tetrahydro-1H-3-Benzazepine

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Properties Simple | Detailed

Formula C16H22ClNO
IUPAC Name (3r)-6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine
Molecular Mass 279.805 g·mol−1
Heat of Formation -154.7 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 355.79 Å 3
Surface Area 283.5 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-3-benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)-
  • pdsp1_000610
  • pdsp2_000607
  • sk&f 104078
  • sk&f-104078
  • skf 104078
CAS Number(s)
  • 110857-22-2
InChIKey MBYSTKNEMJZSIK-UHFFFAOYSA-N
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DOI
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Elements H C N O Cl