Formula |
C31H36N6O3 |
IUPAC Name |
(e)-3-[5-[(2,4-diamino-6-propyl-pyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1s)-1-(2-methylprop-1-enyl)-1h-phthalazin-2-yl]prop-2-en-1-one |
Molecular Mass |
540.656 g·mol−1 |
Heat of Formation |
-77.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.16 ± 1.08 D |
Volume |
661.02 Å 3 |
Surface Area |
558.25 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
2.41 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FJDNNCPVIFOVAR-JYSHFMIGSA-N |
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Elements |
H
C
O
N
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