Formula |
C19H19ClN6O |
IUPAC Name |
5-[(8-chloro-3-isoquinolyl)amino]-3-[(1r)-2-(dimethylamino)-1-methyl-ethoxy]pyrazine-2-carbonitrile |
Molecular Mass |
382.847 g·mol−1 |
Heat of Formation |
279.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.47 ± 1.08 D |
Volume |
456.44 Å 3 |
Surface Area |
366.83 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
1.59 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SRBJWIBAMIKCMV-GFCCVEGCSA-N |
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Elements |
H
C
Cl
O
N
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