Geometry & MOs

Info

ID:	122142
PubChem CID:	50796063
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	460.227454
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	3.59
IP(EA), eV:	-8.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3CCCC3)C)C(=NN2C4=CC=CC(=C4)C)C

DOS

IR

Vibrations