2-[(2-Fluorodibenzo[B,F]Oxepin-10-Yl)Sulfanyl]-N-Methylethanamine

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Properties Simple | Detailed

Formula C17H16FNOS
IUPAC Name 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methyl-ethanamine
Molecular Mass 301.378 g·mol−1
Heat of Formation -82.7 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 351.52 Å 3
Surface Area 296.19 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methyl-ethanamine
  • 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methylethanamine
  • 2-[(3-fluoro-6-benzo[b][1]benzoxepinyl)thio]-n-methylethanamine
  • 2-[(3-fluorobenzo[b][1]benzoxepin-6-yl)thio]ethyl-methyl-amine
  • fluradolina [spanish]
  • fluradolinum [latin]
InChIKey CHPITGJOZSVPGL-UHFFFAOYSA-N
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