Geometry & MOs

Info

ID:	442568
PubChem CID:	135253065
Reduced:	O2Cl3N4H15C18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	432.111981
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	3.56
IP(EA), eV:	-9.02(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-1-(oxan-4-yl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2C3=NC=C(C(=C3C(=N2)Cl)Cl)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations