Geometry & MOs

Info

ID:

376499

PubChem CID:

134222515

Reduced:

N4O4C26H35 (2)

Stoich.:

A4B4C26D35 (2)

Weight, g/mol:

740.498905

ΔHf, kcal/mol:

-112.17

Dipole, Da:

17.21

IP(EA), eV:

 -8.19(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-octadecylanilino]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=C(C=C(C(=C2)OC)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations