Geometry & MOs

Info

ID:	122136
PubChem CID:	50796057
Reduced:	ClO3N4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	450.186732
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	5.64
IP(EA), eV:	-8.37(-0.62)
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-(2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3=CC(=C(C=C3)OC)Cl)C)C(=NN2C4=CC=CC(=C4)C)C

DOS

IR

Vibrations