2-{[1,3-Dihydroxy-1-(4-Nitrophenyl)-2-Propanyl]Carbamoyl}-1-Methyl-4-Propylpyrrolidinium
Properties
Property | Value |
---|---|
Formula | C18H27N3O5 |
IUPAC Name | (1s,2r,4s)-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide |
Molecular Mass | 365.424 g·mol−1 |
Heat of Formation | -605.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.39 ± 1.08 D |
Volume | 446.69 Å 3 |
Surface Area | 386.26 Å 2 |
HOMO Energy | -9.59 ± 0.55 eV |
LUMO Energy | 1.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | SEQRYZQRTVCQIV-WBQNTZJQSA-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 |