2-Chloro-4-{[(3S)-1-Methyl-3-Pyrrolidinyl][2-(Trifluoromethyl)Benzyl]Amino}Benzonitrile

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Properties Simple | Detailed

Formula C20H19ClF3N3
IUPAC Name 2-chloro-4-[[(1s,3s)-1-methylpyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
Molecular Mass 393.833 g·mol−1
Heat of Formation -367.2 ± 16.7 kJ·mol−1
Dipole Moment 8.58 ± 1.08 D
Volume 442.71 Å 3
Surface Area 372.01 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-4-[[(3s)-1-methyl-3-pyrrolidinyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
  • 2-chloro-4-[[(3s)-1-methylpyrrolidin-3-yl]-[2-(trifluoromethyl)benzyl]amino]benzonitrile
  • 2-chloro-4-[[(3s)-1-methylpyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
InChIKey HMOAZJHSXXENHE-KRWDZBQOSA-N
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Elements H C N F Cl