Geometry & MOs

Info

ID:	442598
PubChem CID:	135253197
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	427.177503
ΔH_f, kcal/mol:	40.7
Dipole, Da:	6.44
IP(EA), eV:	-8.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[1-(2-hydroxyethyl)piperidin-4-yl]-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(=CN3CC4=NN(C(=C4)C)C)C

DOS

IR

Vibrations