(1R)-6-Fluoro-1-(4-Hydroxyphenyl)-2,3,4,5-Tetrahydro-1H-3-Benzazepine-7,8-Diol

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Properties Simple | Detailed

Formula C16H16FNO3
IUPAC Name (1r)-6-fluoro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
Molecular Mass 289.302 g·mol−1
Heat of Formation -544.9 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 325.93 Å 3
Surface Area 288.41 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-3-benzazepine-7,8-diol, 6-fluoro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, hydrobromide
  • 6-fluoro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1h-3-benzazepine-7,8-diol hydrobromide
  • 6-fluoro-7,8-dihydroxy-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-(1h)-3-benzazepine
  • sk&f r87516
  • skf 87516
  • skf-r 87516
CAS Number(s)
  • 72912-26-6
InChIKey VCANAEDMYJEQEH-CYBMUJFWSA-N
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