1-(2,2-Diethoxyethyl)-6-Methylsulfanyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine
Properties
Property | Value |
---|---|
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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Elements | H S C O N |