Geometry & MOs

Info

ID:	442564
PubChem CID:	135253057
Reduced:	ON10H26C27 (1)
Stoich.:	AB10C26D27 (1)
Weight, g/mol:	411.182588
ΔH_f, kcal/mol:	171.58
Dipole, Da:	7.27
IP(EA), eV:	-8.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(1-ethylpiperidin-4-yl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=CN3C(=C(C=N3)C#N)C(=N2)C4=CN=C(C=C4)N5CCN(CC5)CC6=CN=C(C=C6)OC

DOS

IR

Vibrations