1-(5-Bromo-1H-Indol-3-Yl)-2-(4,5-Dimethoxy-2-Nitrophenyl)Ethanone

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Properties Simple | Detailed

Formula C18H15BrN2O5
IUPAC Name 1-(5-bromoindol-1-ium-3-yl)-2-(4,5-dimethoxy-2-nitro-phenyl)ethanone
Molecular Mass 419.226 g·mol−1
Heat of Formation -200.1 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 412.79 Å 3
Surface Area 366.09 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-bromo-1h-indol-3-yl)-2-(4,5-dimethoxy-2-nitro-phenyl)ethanone
CAS Number(s)
  • 94331-81-4
InChIKey PJVANYWTZZFVFV-UHFFFAOYSA-N
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Elements H C O Br N