4'-{3-[(3R)-3-(Dimethylamino)-1-Pyrrolidinyl]Propoxy}-4-Biphenylcarbonitrile

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Properties Simple | Detailed

Formula C22H27N3O
IUPAC Name 4-[4-[3-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile
Molecular Mass 349.469 g·mol−1
Heat of Formation 147.0 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 453.35 Å 3
Surface Area 412.3 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[3-[(3r)-3-dimethylamino-1-pyrrolidinyl]propoxy]phenyl]benzonitrile
  • 4-[4-[3-[(3r)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile
InChIKey FXIPXWLVYIHFEP-OAQYLSRUSA-N
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