N,4-Dimethyl-3-[(1-Phenylpyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Yl)Amino]Benzamide
Properties
Property | Value |
---|---|
Formula | C20H18N6O |
IUPAC Name | n,4-dimethyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-yl)amino]benzamide |
Molecular Mass | 358.397 g·mol−1 |
Heat of Formation | 361.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.32 ± 1.08 D |
Volume | 418.16 Å 3 |
Surface Area | 379.18 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | 2.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | YQDYOVDCKGSHTO-UHFFFAOYSA-O |
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Elements | H C O N |