Geometry & MOs

Info

ID:	33109
PubChem CID:	7851410
Reduced:	NCl2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	4.13
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyanilino)-2-oxoethyl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations