Geometry & MOs

Info

ID:	37241
PubChem CID:	8018681
Reduced:	NCl2O2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	339.095417
ΔH_f, kcal/mol:	-18.32
Dipole, Da:	2.5
IP(EA), eV:	-9.69(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[2-(2-methoxyacetyl)oxyacetyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C(=O)OCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations