(S)-3-Methyl-5-(1-Methyl-2-Pyrrolidinyl)Isoxazole

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Properties Simple | Detailed

Formula C9H14N2O
IUPAC Name 3-methyl-5-[(1r,2s)-1-methylpyrrolidin-2-yl]isoxazole
Molecular Mass 166.220 g·mol−1
Heat of Formation 38.9 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 215.23 Å 3
Surface Area 205.93 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 3.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-5-[(2s)-1-methyl-2-pyrrolidinyl]isoxazole
  • 3-methyl-5-[(2s)-1-methylpyrrolidin-2-yl]-1,2-oxazole
  • 3-methyl-5-[(2s)-1-methylpyrrolidin-2-yl]isoxazole
  • abt 418
  • abt-418
  • isoxazole, 3-methyl-5-((2s)-1-methyl-2-pyrrolidinyl)-
  • isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (s)-
CAS Number(s)
  • 147402-53-7
InChIKey ILLGYRJAYAAAEW-QMMMGPOBSA-N
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