Formula |
C19H17ClFN3O3 |
IUPAC Name |
(6s)-1-chloro-3-[(4-fluorophenyl)methoxy]-6-(pyrrolidine-1-carbonyl)-6h-pyrrolo[1,2-a]pyrazin-4-one |
Molecular Mass |
389.808 g·mol−1 |
Heat of Formation |
-368.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.25 ± 1.08 D |
Volume |
425.78 Å 3 |
Surface Area |
377.62 Å 2 |
HOMO Energy |
-8.77 ± 0.55 eV |
LUMO Energy |
1.80 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HPAFVLDARQIHPU-HNNXBMFYSA-N |
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Elements |
C
F
H
Cl
O
N
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