P 76 2494A

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Properties Simple | Detailed

Formula C17H16FNOS
IUPAC Name 2-(3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanyl-n-methyl-ethanamine
Molecular Mass 301.378 g·mol−1
Heat of Formation -58.2 ± 16.7 kJ·mol−1
Dipole Moment 0.81 ± 1.08 D
Volume 351.9 Å 3
Surface Area 317.29 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(8-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methyl-ethanamine
  • 2-(8-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methylethanamine
  • 2-[(8-fluoro-6-benzo[b][1]benzoxepinyl)thio]-n-methylethanamine
  • 2-[(8-fluorobenzo[b][1]benzoxepin-6-yl)thio]ethyl-methyl-amine
InChIKey LEBFQNREPOQDII-UHFFFAOYSA-N
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