Geometry & MOs

Info

ID:	188268
PubChem CID:	77691990
Reduced:	Cl2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	291.061711
ΔH_f, kcal/mol:	-111.05
Dipole, Da:	5.78
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-[(4-nitrophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC=C(C1=CC=CC=C1COC2=CC(=C(C=C2Cl)Cl)OCC3CC3)C(=O)O

DOS

IR

Vibrations