Geometry & MOs

Info

ID:

376491

PubChem CID:

134222507

Reduced:

O4N5C29H37 (2)

Stoich.:

A4B5C29D37 (2)

Weight, g/mol:

829.416297

ΔHf, kcal/mol:

-39.43

Dipole, Da:

17.4

IP(EA), eV:

 -8.17(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-amino-3-decylphenyl)-2-[2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)OC)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-])OC

DOS

IR

Vibrations