N-[(1S)-1-(2-Chloro-6-Fluorophenyl)Ethyl]-5-Cyano-1-Methyl-1H-Pyrrole-2-Carboxamide
Properties
Property | Value |
---|---|
Formula | C15H13ClFN3O |
IUPAC Name | n-[(1s)-1-(2-chloro-6-fluoro-phenyl)ethyl]-5-cyano-1-methyl-pyrrole-2-carboxamide |
Molecular Mass | 305.735 g·mol−1 |
Heat of Formation | -97.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.29 ± 1.08 D |
Volume | 343.15 Å 3 |
Surface Area | 302.9 Å 2 |
HOMO Energy | -9.59 ± 0.55 eV |
LUMO Energy | -0.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | OVRPUVGBRNDNAS-VIFPVBQESA-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 |