Geometry & MOs

Info

ID:

376497

PubChem CID:

134222513

Reduced:

O3N5C29H38 (2)

Stoich.:

A3B5C29D38 (2)

Weight, g/mol:

552.367556

ΔHf, kcal/mol:

33.85

Dipole, Da:

16.64

IP(EA), eV:

 -8.16(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[N-dodecyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN(CCOC(=O)C(C)(C)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=NC5=CC=C(C=C5)[N+](=O)[O-])OC

DOS

IR

Vibrations