Geometry & MOs

Info

ID:	163065
PubChem CID:	57588026
Reduced:	ClN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	5.54
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[amino(phenyl)methyl]-4-chloroanilino]acetate

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3CO2)C(=O)CNC(CCC(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations