1-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-3-[(3S)-3-Phenyl-1-Pyrrolidinyl]-1-Propanone

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Formula C21H23NO3
IUPAC Name 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1r,3s)-3-phenylpyrrolidin-1-yl]propan-1-one
Molecular Mass 337.412 g·mol−1
Heat of Formation -279.7 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 406.35 Å 3
Surface Area 364.89 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(3s)-3-phenyl-1-pyrrolidinyl]propan-1-one
  • 1-(2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(3s)-3-phenylpyrrolidin-1-yl]propan-1-one
InChIKey GZIISXIDAZYOLI-GOSISDBHSA-N
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