(2R,3R)-3-(4-Chlorophenyl)-2-Phenyl-1-{2-[2-(1-Pyrrolidinyl)Ethoxy]Phenyl}-1-Butanone

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Formula C28H30ClNO2
IUPAC Name (2r,3r)-3-(4-chlorophenyl)-2-phenyl-1-[2-(2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
Molecular Mass 447.996 g·mol−1
Heat of Formation -160.0 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 556.43 Å 3
Surface Area 413.32 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-(4-chlorophenyl)-2-phenyl-1-[2-(2-1-pyrrolidinylethoxy)phenyl]butan-1-one
  • (2r,3r)-3-(4-chlorophenyl)-2-phenyl-1-[2-(2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
  • butyrophenone, 3-(p-chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, threo-
  • threo-3-(p-chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)butyrophenone
CAS Number(s)
  • 32719-36-1
InChIKey LNPXDYNODAODJY-KDYSTLNUSA-N
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Elements H C N O Cl