Geometry & MOs

Info

ID:	122144
PubChem CID:	50796065
Reduced:	O3N5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	450.186732
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	3.22
IP(EA), eV:	-8.5(-0.41)
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-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NCCN3CCOCC3)C)C(=NN2C4=CC=CC(=C4)C)C

DOS

IR

Vibrations