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

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Properties Simple | Detailed

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
InChIKey OJGYOUUMLDASHA-UHFFFAOYSA-O
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