Formula |
C23H25F2NO3 |
IUPAC Name |
methyl (1r,3r,4r,5s,8r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate |
Molecular Mass |
401.446 g·mol−1 |
Heat of Formation |
-751.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.88 ± 1.08 D |
Volume |
481.81 Å 3 |
Surface Area |
386.92 Å 2 |
HOMO Energy |
-9.34 ± 0.55 eV |
LUMO Energy |
2.79 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (1s,2r,3r,5r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
|
InChIKey |
XSYGBVSQKPLETJ-PLACYPQZSA-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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