Geometry & MOs

Info

ID:

376498

PubChem CID:

134222514

Reduced:

NOC8H12 (4)

Stoich.:

ABC8D12 (4)

Weight, g/mol:

934.531661

ΔHf, kcal/mol:

-83.51

Dipole, Da:

11.96

IP(EA), eV:

 -8.57(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations