3-[(4-Amino-1-Tert-Butyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl)Methyl]Phenol
Properties
Property | Value |
---|---|
Formula | C16H19N5O |
IUPAC Name | 3-[(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)methyl]phenol |
Molecular Mass | 297.355 g·mol−1 |
Heat of Formation | 109.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.14 ± 1.08 D |
Volume | 362.61 Å 3 |
Surface Area | 315.73 Å 2 |
HOMO Energy | -8.76 ± 0.55 eV |
LUMO Energy | -0.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | BNOGPQGFDYSQGO-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |