6-(2-Bromoethyl)-5,6,7,8-Tetrahydrobenzo[C][1,3]Benzodioxolo[5,6-E]Azocine

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Formula C18H18BrNO2
IUPAC Name 6-(2-bromoethyl)-5,6,7,8-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-e]azocine
Molecular Mass 360.245 g·mol−1
Heat of Formation -69.0 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 369.84 Å 3
Surface Area 318.86 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1,3)benzodioxolo(5,6-e)(2)benzazocine, 6-(2-bromoethyl)-5,6,7,8-tetrahydro-
  • 6-(beta-bromoethyl)-10,11-methylenedioxy-5,6,7,8-tetrahydrodibenz(c,e)azocine
CAS Number(s)
  • 58532-43-7
InChIKey VDHFBBFXODHVMH-UHFFFAOYSA-N
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Elements H C O Br N