Geometry & MOs

Info

ID:	122153
PubChem CID:	50796160
Reduced:	FO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	1.81
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations