Geometry & MOs

Info

ID:	233275
PubChem CID:	89449610
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	558.216158
ΔH_f, kcal/mol:	18.28
Dipole, Da:	3.97
IP(EA), eV:	-8.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-3-[[4-[4-[(2,6-diamino-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCOC(C)N1C=C(C=N1)C2=C(C=NN3C2=CC(=C3)NC)NC=O

DOS

IR

Vibrations