Geometry & MOs

Info

ID:	442573
PubChem CID:	135253075
Reduced:	ClON4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	64.26
Dipole, Da:	2.37
IP(EA), eV:	-8.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C=NN3CC4=CC=CC=C4

DOS

IR

Vibrations