Formula |
C18H23FINO2 |
IUPAC Name |
methyl (1r,2s,3s,5s)-8-(3-fluoropropyl)-3-(4-(123i)iodanylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate |
Molecular Mass |
427.285 g·mol−1 |
Heat of Formation |
-426.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.86 ± 1.08 D |
Volume |
425.23 Å 3 |
Surface Area |
355.62 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
2.90 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- ioflupane (
- methyl 8-(3-fluoropropyl)-3beta-(p-iodo-i(sup 123)-phenyl)-1alphah, 5alphah-nortropane-2beta-carboxylate.
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CAS Number(s) |
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InChIKey |
HXWLAJVUJSVENX-HFIFKADTSA-N |
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Links |
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Elements |
C
F
I
H
O
N
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