N-[(3S,5S)-1-(1,3-Benzodioxol-5-Ylmethyl)-5-(1-Piperazinylcarbonyl)-3-Pyrrolidinyl]-N-(3-Methoxybenzyl)-3,3-Dimethylbutanamide

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Properties Simple | Detailed

Formula C31H42N4O5
IUPAC Name n-[(1r,3r,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethyl-butanamide
Molecular Mass 550.689 g·mol−1
Heat of Formation -653.3 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 681.51 Å 3
Surface Area 500.78 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey WPHXYKUPFJRJDK-RSXGOPAZSA-N
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