Geometry & MOs

Info

ID:	122248
PubChem CID:	50799593
Reduced:	ClF3O3N4H18C23 (1)
Stoich.:	AB3C3D4E18F23 (1)
Weight, g/mol:	458.136588
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	2.94
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=N2)OCC(=O)NC3=C(C=CC(=C3)Cl)OC)C(F)(F)F)C(=N1)C4=CC=CC=C4

DOS

IR

Vibrations