Formula |
C18H23FINO2 |
IUPAC Name |
methyl (1r,2s,3s,5s)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate |
Molecular Mass |
431.284 g·mol−1 |
Heat of Formation |
-429.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.55 ± 1.08 D |
Volume |
422.67 Å 3 |
Surface Area |
344.87 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
-0.17 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (1r,2s,3s,5s)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
|
InChIKey |
HXWLAJVUJSVENX-HZMVEIRTSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
I
H
O
N
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