N-(4-Chloro-3-Fluorophenyl)-N'-[(3As,6As)-Hexahydrocyclopenta[C]Pyrrol-3A(1H)-Ylmethyl]Ethanediamide
Properties
Property | Value |
---|---|
Formula | C16H19ClFN3O2 |
IUPAC Name | n-[[(3as,6as)-2,3,4,5,6,6a-hexahydro-1h-cyclopenta[c]pyrrol-3a-yl]methyl]-n'-(4-chloro-3-fluoro-phenyl)oxamide |
Molecular Mass | 339.792 g·mol−1 |
Heat of Formation | -498.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.21 ± 1.08 D |
Volume | 384.81 Å 3 |
Surface Area | 346.14 Å 2 |
HOMO Energy | -9.36 ± 0.55 eV |
LUMO Energy | -0.88 ± eV |
Point Group Symmetry | C1 |
InChIKey | BZIHKIJDFGVAIC-HWPZZCPQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |