Formula |
C22H19FN4O3 |
IUPAC Name |
n-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxo-spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide |
Molecular Mass |
406.410 g·mol−1 |
Heat of Formation |
-242.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.67 ± 1.08 D |
Volume |
453.72 Å 3 |
Surface Area |
395.4 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
1.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RMYZIRFUCOMQRH-CAJLXGCNSA-N |
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Elements |
H
C
N
O
F
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