Geometry & MOs

Info

ID:

376504

PubChem CID:

134222521

Reduced:

N3O4C23H33 (2)

Stoich.:

A3B4C23D33 (2)

Weight, g/mol:

820.463582

ΔHf, kcal/mol:

-185.22

Dipole, Da:

15.72

IP(EA), eV:

 -8.26(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2,5-dimethoxy-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-dodecylanilino]ethyl 2,2-dimethylbutanoate

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=C2OC)N=NC3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations