Geometry & MOs

Info

ID:	166761
PubChem CID:	74731110
Reduced:	N2O4C28H31 (1)
Stoich.:	A2B4C28D31 (1)
Weight, g/mol:	266.082861
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	6.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146793
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[NH+]4CCCC4

DOS

IR

Vibrations