Geometry & MOs

Info

ID:

432772

PubChem CID:

135172909

Reduced:

O6H114C137 (1)

Stoich.:

A6B114C137 (1)

Weight, g/mol:

337.19026

ΔHf, kcal/mol:

413.34

Dipole, Da:

4.2

IP(EA), eV:

 -7.98(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-N'-[1-[[4-(4-methoxyanilino)phenyl]diazenyl]ethenyl]-N,N'-dimethylethene-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CCC(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=C(C(=C(C4(CC5=C(C(=C(CC5(C/C=C\C=C)C6=CC=CC=C6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=CC=C9)C1CC=CC=C1)C1=CC=CC=C1)C1=C(C(=C(C(=C1C1=CC=CC=C1)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C1CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)OC

DOS

IR

Vibrations