Formula |
C20H26N6O3 |
IUPAC Name |
tert-butyl n-[4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]carbamate |
Molecular Mass |
398.459 g·mol−1 |
Heat of Formation |
-277.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.98 ± 1.08 D |
Volume |
476.31 Å 3 |
Surface Area |
420.32 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-0.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LVOBTCONHRNJJA-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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