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

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Properties Simple | Detailed

Formula C15H21BrN2O3
IUPAC Name 3-bromo-n-[[(1r,2s)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxy-benzamide
Molecular Mass 357.243 g·mol−1
Heat of Formation -453.3 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 382.5 Å 3
Surface Area 328.64 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-6-hydroxy-2-methoxybenzamide
  • 3-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2-methoxy-benzamide
InChIKey QRMZHEDLUQMLGK-JTQLQIEISA-N
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Elements H C O Br N