Geometry & MOs

Info

ID:	442566
PubChem CID:	135253061
Reduced:	ClON5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	411.182588
ΔH_f, kcal/mol:	25.07
Dipole, Da:	2.55
IP(EA), eV:	-8.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-methylphenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2C3=NC=C(C(=C3C=N2)Cl)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations