Geometry & MOs

Info

ID:	261993
PubChem CID:	103265012
Reduced:	NCl2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	338.94285
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	3.38
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(2,5-dichloro-4-methylanilino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)COCCNC1=C(C=C(C(=C1)Cl)C)Cl

DOS

IR

Vibrations