Geometry & MOs

Info

ID:

376486

PubChem CID:

134222502

Reduced:

N3O3C22H31 (2)

Stoich.:

A3B3C22D31 (2)

Weight, g/mol:

854.566984

ΔHf, kcal/mol:

-111.31

Dipole, Da:

13.2

IP(EA), eV:

 -8.35(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=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