Geometry & MOs

Info

ID:	221878
PubChem CID:	85291612
Reduced:	NCl2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	3.77
IP(EA), eV:	-9.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)N1COC(=C(Cl)Cl)C1CC2=CC=CC=C2

DOS

IR

Vibrations