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

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Properties Simple | Detailed

Formula C22H26FN3O
IUPAC Name 4-[4-[3-[(1r,3r)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-fluoro-phenyl]benzonitrile
Molecular Mass 367.460 g·mol−1
Heat of Formation -43.1 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 464.12 Å 3
Surface Area 417.69 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[3-[(3r)-3-dimethylamino-1-pyrrolidinyl]propoxy]-3-fluorophenyl]benzonitrile
  • 4-[4-[3-[(3r)-3-dimethylaminopyrrolidin-1-yl]propoxy]-3-fluoro-phenyl]benzonitrile
InChIKey POAUPBITMOGOTG-HXUWFJFHSA-N
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