Geometry & MOs

Info

ID:	138147
PubChem CID:	52317993
Reduced:	ClF2N3O4H14C20 (1)
Stoich.:	AB2C3D4E14F20 (1)
Weight, g/mol:	441.193808
ΔH_f, kcal/mol:	-193.09
Dipole, Da:	5.06
IP(EA), eV:	-9.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C2=C([C@H](NC(=O)N2CC(=O)NC3=C(C=C(C=C3)F)F)C4=CC(=CC=C4)Cl)C(=O)O1

DOS

IR

Vibrations