Formula |
C23H31N5O4 |
IUPAC Name |
4-(2-isopropoxyethylamino)-7-(6-methoxy-3-pyridyl)-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2-one |
Molecular Mass |
441.523 g·mol−1 |
Heat of Formation |
-490.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.81 ± 1.08 D |
Volume |
538.3 Å 3 |
Surface Area |
470.68 Å 2 |
HOMO Energy |
-9.33 ± 0.55 eV |
LUMO Energy |
1.72 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WVANLBXFBJNOKP-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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