Geometry & MOs

Info

ID:

376503

PubChem CID:

134222520

Reduced:

N3O3C19H26 (2)

Stoich.:

A3B3C19D26 (2)

Weight, g/mol:

830.494213

ΔHf, kcal/mol:

-71.18

Dipole, Da:

17.69

IP(EA), eV:

 -8.3(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl] 5-O-dodecyl 4-ethyl-2,2,4-trimethylpentanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCN(CCOC(=O)C(C)(C)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