Geometry & MOs

Info

ID:	408180
PubChem CID:	135080940
Reduced:	ClIO2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	202.095357
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	3.09
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-methyl-3-[2-(methylamino)ethylamino]butanedioate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)I)O)Cl

DOS

IR

Vibrations