Formula |
C25H41N6O3+ |
IUPAC Name |
5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-1,6-diium-7a-ylium-7-one |
Molecular Mass |
473.631 g·mol−1 |
Heat of Formation |
-155.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.70 ± 1.08 D |
Volume |
572.88 Å 3 |
Surface Area |
489.52 Å 2 |
HOMO Energy |
-8.64 ± 0.55 eV |
LUMO Energy |
2.13 ± eV |
Point Group Symmetry |
C1
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InChIKey |
OJGYOUUMLDASHA-UHFFFAOYSA-O |
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Elements |
H
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N
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