N-{[(3S,4S)-4-Benzyl-3-Pyrrolidinyl]Methyl}-4-Chloro-N-Phenylaniline

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Properties Simple | Detailed

Formula C24H25ClN2
IUPAC Name n-[[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl]-4-chloro-n-phenyl-aniline
Molecular Mass 376.922 g·mol−1
Heat of Formation 247.5 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 470.95 Å 3
Surface Area 390.44 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-n-phenyl-n-[[(3s,4s)-4-(phenylmethyl)-3-pyrrolidinyl]methyl]aniline
  • 4-chloro-n-phenyl-n-[[(3s,4s)-4-(phenylmethyl)pyrrolidin-3-yl]methyl]aniline
  • [(3s,4s)-4-(benzyl)pyrrolidin-3-yl]methyl-(4-chlorophenyl)-phenyl-amine
InChIKey FCWGSUKXROLTNW-RTWAWAEBSA-N
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Elements H C Cl N