4-[(S)-[(2R,5S)-4-Allyl-2,5-Dimethyl-1-Piperazinyl](3-Methoxyphenyl)Methyl]-N,N-Diethylbenzamide

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Properties Simple | Detailed

Formula C28H39N3O2
IUPAC Name 4-[(s)-[(2r,5s)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-n,n-diethyl-benzamide
Molecular Mass 449.628 g·mol−1
Heat of Formation -146.1 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 600.57 Å 3
Surface Area 482.15 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(s)-[(2r,5s)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-n,n-diethyl-benzamide
  • 4-[(s)-[(2r,5s)-4-allyl-2,5-dimethyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-n,n-diethylbenzamide
  • 4-[(s)-[(2r,5s)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-n,n-diethyl-benzamide
InChIKey KQWVAUSXZDRQPZ-XXAUWVGASA-N
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