N-[(3S,5S)-1-(1,3-Benzodioxol-5-Ylmethyl)-5-(1-Piperazinylcarbonyl)-3-Pyrrolidinyl]-N-(3-Methoxybenzyl)-3,3-Dimethylbutanamide
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |