1-(2,2-Diethoxyethyl)-6-Methylsulfanyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

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Formula C12H19N5O2S
IUPAC Name 1-(2,2-diethoxyethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 297.377 g·mol−1
Heat of Formation -114.4 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 356.41 Å 3
Surface Area 295.16 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey QFTIMSSCPMCIAB-UHFFFAOYSA-O
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