Geometry & MOs

Info

ID:	432773
PubChem CID:	135172910
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	407.183164
ΔH_f, kcal/mol:	90.79
Dipole, Da:	2.98
IP(EA), eV:	-7.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]anilino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN/C=C\N(C)C(=C)N=NC1=CC=C(C=C1)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations