Geometry & MOs

Info

ID:	376518
PubChem CID:	134222536
Reduced:	O4N6C25H28 (1)
Stoich.:	A4B6C25D28 (1)
Weight, g/mol:	642.207427
ΔH_f, kcal/mol:	70.24
Dipole, Da:	16.33
IP(EA), eV:	-8.23(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethoxy]benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCN(CC)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2OC)N=NC3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations