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
Properties
Property | Value |
---|---|
Formula | C25H41N6O4+ |
IUPAC Name | (3r,3ar,5s,7ar)-5-[2-ethoxy-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]phenyl]-1-methyl-3-propyl-3,3a,4,5,6,7a-hexahydro-2h-pyrazolo[4,3-d]pyrimidin-4-ium-7-one |
Molecular Mass | 489.631 g·mol−1 |
Heat of Formation | -317.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.10 ± 1.08 D |
Volume | 584.41 Å 3 |
Surface Area | 500.77 Å 2 |
HOMO Energy | -8.75 ± 0.55 eV |
LUMO Energy | 2.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | ATNANEFBKXZQJG-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |