Geometry & MOs

Info

ID:	448307
PubChem CID:	135290034
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	257.0091
ΔH_f, kcal/mol:	-168.14
Dipole, Da:	5.02
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-carboxyacetyl)amino]-4-chlorobenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OC)C2=CCN(CC2)C(=O)O

DOS

IR

Vibrations