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

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Properties Simple | Detailed

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 -317.6 ± 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
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