Geometry & MOs

Info

ID:	122150
PubChem CID:	50796157
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	460.227454
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	4.47
IP(EA), eV:	-8.57(-0.26)
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-(3-fluoro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NCC3=CC=C(C=C3)OC)C)C(=NN2C4=CC=CC=C4C)C

DOS

IR

Vibrations