| Formula |
C22H25F2N3O |
| IUPAC Name |
4-[4-[3-[(1r,3r)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3,5-difluoro-phenyl]benzonitrile |
| Molecular Mass |
385.450 g·mol−1 |
| Heat of Formation |
-216.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.82 ± 1.08 D |
| Volume |
472.48 Å 3 |
| Surface Area |
424.04 Å 2 |
| HOMO Energy |
-8.87 ± 0.55 eV |
| LUMO Energy |
-1.25 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[4-[3-[(3r)-3-dimethylamino-1-pyrrolidinyl]propoxy]-3,5-difluorophenyl]benzonitrile
- 4-[4-[3-[(3r)-3-dimethylaminopyrrolidin-1-yl]propoxy]-3,5-difluoro-phenyl]benzonitrile
- 4-[4-[3-[(3r)-3-dimethylaminopyrrolidin-1-yl]propoxy]-3,5-difluorophenyl]benzonitrile
|
| InChIKey |
DJXFZKXYKKBTDR-LJQANCHMSA-N |
| QR Code |
Generate QR Code |
| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
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