(1R,2S)-2-(2-Chlorophenyl)-2-[4-(4-Methoxybenzyl)-1-Piperazinyl]-1-Phenylethanol

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Properties Simple | Detailed

Formula C26H29ClN2O2
IUPAC Name (1r,2s)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenyl-ethanol
Molecular Mass 436.974 g·mol−1
Heat of Formation -58.9 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 528.74 Å 3
Surface Area 425.02 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s)-2-(2-chlorophenyl)-2-[4-(4-methoxybenzyl)piperazin-1-yl]-1-phenyl-ethanol
  • (1r,2s)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-phenylethanol
  • (1r,2s)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenyl-ethanol
  • (1r,2s)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
InChIKey IGFBDYAADYLYDQ-IZZNHLLZSA-N
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Elements H C N O Cl