Geometry & MOs

Info

ID:

376500

PubChem CID:

134222516

Reduced:

O2N3C22H32 (2)

Stoich.:

A2B3C22D32 (2)

Weight, g/mol:

914.588113

ΔHf, kcal/mol:

-40.21

Dipole, Da:

14.56

IP(EA), eV:

 -8.34(-1.47)

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-octadecyl 4-ethyl-2,2,4-trimethylpentanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations