Pyrrobutamine

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Properties Simple | Detailed

Formula C20H22ClN
IUPAC Name 1-[(e)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine
Molecular Mass 311.848 g·mol−1
Heat of Formation 171.7 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 400.08 Å 3
Surface Area 341.16 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-(4-chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine
  • 1-[(2e)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
  • 1-[(e)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine
  • 1-[(e)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
  • pyrrolidine, 1-(4-(4-chlorophenyl)-3-phenyl-2-butenyl)-
InChIKey WDYYVNNRTDZKAZ-XDHOZWIPSA-N
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Elements H C N Cl