Formula |
C20H23ClFN3O2 |
IUPAC Name |
2-(3-chloro-4-fluoro-phenyl)-n-(3,4-dimethylisoxazol-5-yl)-7-azaspiro[3.5]nonane-7-carboxamide |
Molecular Mass |
391.867 g·mol−1 |
Heat of Formation |
-290.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.15 ± 1.08 D |
Volume |
447.43 Å 3 |
Surface Area |
393.48 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FORLCQWPUSFXPI-UHFFFAOYSA-N |
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Elements |
C
F
H
Cl
O
N
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