Geometry & MOs

Info

ID:

166762

PubChem CID:

74731175

Reduced:

FNO4C13H13 (1)

Stoich.:

ABC4D13E13 (1)

Weight, g/mol:

282.053311

ΔHf, kcal/mol:

-170.4

Dipole, Da:

4.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754743

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CCOC2=CC=C(C=C2)F)C(=O)[O-]

DOS

IR

Vibrations