Geometry & MOs

Info

ID:	442579
PubChem CID:	135253134
Reduced:	ClON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	405.135638
ΔH_f, kcal/mol:	43.37
Dipole, Da:	5.59
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-methyl-N-(4-methylphenyl)-1-[(6-methylpyridin-3-yl)methyl]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(=N4)C)C)C

DOS

IR

Vibrations