Formula |
C22H27N5O4 |
IUPAC Name |
2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-1-ium-3-id-3-yl)-4-methyl-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one |
Molecular Mass |
425.481 g·mol−1 |
Heat of Formation |
-517.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.93 ± 1.08 D |
Volume |
489.98 Å 3 |
Surface Area |
405.99 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
-0.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XDLYKKIQACFMJG-WKILWMFISA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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