Formula |
C25H34N6O4 |
IUPAC Name |
5-[2-ethoxy-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-1,6-diium-7a-ylium-7-one |
Molecular Mass |
482.575 g·mol−1 |
Heat of Formation |
-317.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.84 ± 1.08 D |
Volume |
584.74 Å 3 |
Surface Area |
499.91 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
2.06 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RZVZQPAGIOECPK-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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