Formula |
C22H26FN3O |
IUPAC Name |
4-[4-[3-[(1r,3r)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-fluoro-phenyl]benzonitrile |
Molecular Mass |
367.460 g·mol−1 |
Heat of Formation |
-43.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.12 ± 1.08 D |
Volume |
464.12 Å 3 |
Surface Area |
417.69 Å 2 |
HOMO Energy |
-9.01 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[4-[3-[(3r)-3-dimethylamino-1-pyrrolidinyl]propoxy]-3-fluorophenyl]benzonitrile
- 4-[4-[3-[(3r)-3-dimethylaminopyrrolidin-1-yl]propoxy]-3-fluoro-phenyl]benzonitrile
|
InChIKey |
POAUPBITMOGOTG-HXUWFJFHSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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