3-Bromo-N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl}-2-Hydroxy-5,6-Dimethoxybenzamide

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Properties Simple | Detailed

Formula C16H23BrN2O4
IUPAC Name 3-bromo-n-[[(1r,2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxy-benzamide
Molecular Mass 387.269 g·mol−1
Heat of Formation -629.7 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 408.83 Å 3
Surface Area 356.05 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
  • 3-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxy-benzamide
  • 3-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
InChIKey WGLPSCZHULDZSS-JTQLQIEISA-N
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Elements H C O Br N