(S)-2-(4-(2-(3,4-Dimethoxyphenyl)-2-Hydroxyethyl)-1-Piperazinyl)-2,4,6-Cycloheptatrien-1-One

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Properties Simple | Detailed

Formula C21H26N2O4
IUPAC Name 2-[4-[(2s)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
Molecular Mass 370.442 g·mol−1
Heat of Formation -325.2 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 454.61 Å 3
Surface Area 375.76 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 2-(4-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-1-piperazinyl)-, (s)-
  • 2-[4-[(2s)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
  • 2-[4-[(2s)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone
  • 2-[4-[(2s)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
  • ciladopa
  • ciladopum [latin]
CAS Number(s)
  • 80109-27-9
InChIKey SGEKLKJQLHJVDK-LJQANCHMSA-N
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