Formula |
C21H22N6O3 |
IUPAC Name |
ethyl 4-[(2r,4s)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)pyrazolo[3,4-b]pyridine-5-carboxylate |
Molecular Mass |
406.438 g·mol−1 |
Heat of Formation |
3.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.53 ± 1.08 D |
Volume |
476.52 Å 3 |
Surface Area |
380.1 Å 2 |
HOMO Energy |
-9.22 ± 0.55 eV |
LUMO Energy |
1.82 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XEAFNJRJCDEJPR-OAHLLOKOSA-N |
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Elements |
H
C
O
N
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