Geometry & MOs

Info

ID:	21026
PubChem CID:	586828
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	-195.7
Dipole, Da:	7.05
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethoxyanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)O

DOS

IR

Vibrations