Geometry & MOs

Info

ID:	21017
PubChem CID:	586775
Reduced:	NO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-160.92
Dipole, Da:	3.25
IP(EA), eV:	-8.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations