7-((2-(3,5-Dibromo-4-Hydroxyphenyl)Ethyl)Amino)-5,8-Quinolinedione

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Properties Simple | Detailed

Formula C17H12Br2N2O3
IUPAC Name 7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quinoline-5,8-dione
Molecular Mass 452.097 g·mol−1
Heat of Formation -105.3 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 393.81 Å 3
Surface Area 360.78 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 5,8-quinolinedione, 7-[[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]amino]-
  • 7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quinoline-5,8-quinone
  • 7-[2-(3,5-dibromo-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione
InChIKey OHPHDPYJEHZGDE-UHFFFAOYSA-N
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Elements H C O Br N