(2S)-5-{[2-(3,4-Dimethoxyphenyl)Ethyl](Methyl)Amino}-2-Isopropyl-2-(3,4,5-Trimethoxyphenyl)Pentanenitrile

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Formula C28H40N2O5
IUPAC Name (2s)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Molecular Mass 484.628 g·mol−1
Heat of Formation -592.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 620.92 Å 3
Surface Area 530.28 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  • (2s)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile
  • (2s)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  • (2s)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
InChIKey XQLWNAFCTODIRK-NDEPHWFRSA-N
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