Geometry & MOs

Info

ID:

376487

PubChem CID:

134222503

Reduced:

N3O3C25H37 (2)

Stoich.:

A3B3C25D37 (2)

Weight, g/mol:

904.557482

ΔHf, kcal/mol:

-143.54

Dipole, Da:

12.49

IP(EA), eV:

 -8.47(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations