Formula |
C17H22ClN5O3 |
IUPAC Name |
1-(5-chloro-2-methoxy-phenyl)-3-[6-[(1s)-2-(dimethylamino)-1-methyl-ethoxy]pyrazin-2-yl]urea |
Molecular Mass |
379.841 g·mol−1 |
Heat of Formation |
-280.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.79 ± 1.08 D |
Volume |
457.05 Å 3 |
Surface Area |
383.78 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
-0.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GIAYFZLMPSVQDV-NSHDSACASA-N |
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Elements |
H
C
Cl
O
N
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