Formula |
C22H27N3O |
IUPAC Name |
4-[4-[3-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile |
Molecular Mass |
349.469 g·mol−1 |
Heat of Formation |
147.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.36 ± 1.08 D |
Volume |
453.35 Å 3 |
Surface Area |
412.3 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-0.82 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-[4-[3-[(3r)-3-dimethylamino-1-pyrrolidinyl]propoxy]phenyl]benzonitrile
- 4-[4-[3-[(3r)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile
|
InChIKey |
FXIPXWLVYIHFEP-OAQYLSRUSA-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
|
|
|