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

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Properties Simple | Detailed

Formula C26H36N2O2
IUPAC Name (2s)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-(o-tolyl)pentanenitrile
Molecular Mass 408.576 g·mol−1
Heat of Formation -172.6 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 549.9 Å 3
Surface Area 417.44 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
InChIKey WSTHECAEFYKCPL-SANMLTNESA-N
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