Geometry & MOs

Info

ID:

376511

PubChem CID:

134222528

Reduced:

N2O3C23H37 (2)

Stoich.:

A2B3C23D37 (2)

Weight, g/mol:

898.593199

ΔHf, kcal/mol:

-224.86

Dipole, Da:

13.02

IP(EA), eV:

 -8.41(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[N-ethyl-4-[[5-methoxy-2-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl] 5-O-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations