Geometry & MOs

Info

ID:	166914
PubChem CID:	74753128
Reduced:	NF3O3H14C19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	449.220023
ΔH_f, kcal/mol:	-188.67
Dipole, Da:	5.22
IP(EA), eV:	-9.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N'-(2,2-dimethoxyethyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C=CC2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations