Geometry & MOs

Info

ID:	122137
PubChem CID:	50796058
Reduced:	F2O2N4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	450.186732
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	2.02
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[3,4-b]pyridin-5-yl]-N-(3-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3=CC=CC=C3F)C)C(=NN2C4=CC(=CC=C4)F)C

DOS

IR

Vibrations