1-{(3Z)-4-[5-(2,2-Dimethylpropyl)-2-Thienyl]-4-Phenyl-3-Buten-1-Yl}Pyrrolidine

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Properties Simple | Detailed

Formula C23H31NS
IUPAC Name 1-[(z)-4-[5-(2,2-dimethylpropyl)-2-thienyl]-4-phenyl-but-3-enyl]pyrrolidine
Molecular Mass 353.564 g·mol−1
Heat of Formation 90.1 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 486.06 Å 3
Surface Area 398.69 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(z)-4-(5-neopentyl-2-thienyl)-4-phenyl-but-3-enyl]pyrrolidine
  • 1-[(z)-4-[5-(2,2-dimethylpropyl)-2-thienyl]-4-phenyl-but-3-enyl]pyrrolidine
  • 1-[(z)-4-[5-(2,2-dimethylpropyl)-2-thienyl]-4-phenylbut-3-enyl]pyrrolidine
  • 1-[(z)-4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-4-phenyl-but-3-enyl]pyrrolidine
  • 1-[(z)-4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-4-phenylbut-3-enyl]pyrrolidine
  • cis-1-(5-neopentyl-2-thienyl)-1-phenyl-4-pyrrolidinobut-1-ene
  • pyrrolidine, 1-(4-(5-(2,2-dimethylpropyl)-2-thienyl)-4-phenyl-3-butenyl)-, (z)-
  • uk 9040
  • uk-9040
CAS Number(s)
  • 47453-14-5
InChIKey HZZXGWBOCXDVLV-MTJSOVHGSA-N
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