Formula |
C20H19ClF3N3 |
IUPAC Name |
2-chloro-4-[[(3s)-1-methylpyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile |
Molecular Mass |
393.833 g·mol−1 |
Heat of Formation |
-367.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.58 ± 1.08 D |
Volume |
442.71 Å 3 |
Surface Area |
372.01 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
1.97 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-chloro-4-[[(3s)-1-methyl-3-pyrrolidinyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
- 2-chloro-4-[[(3s)-1-methylpyrrolidin-3-yl]-[2-(trifluoromethyl)benzyl]amino]benzonitrile
- 2-chloro-4-[[(3s)-1-methylpyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
|
InChIKey |
HMOAZJHSXXENHE-KRWDZBQOSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
N
F
Cl
|
|
|