Geometry & MOs

Info

ID:	13809
PubChem CID:	398528
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-120.25
Dipole, Da:	3.99
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-chloroacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCl

DOS

IR

Vibrations