Geometry & MOs

Info

ID:

181935

PubChem CID:

76816081

Reduced:

NH33C36 (1)

Stoich.:

AB33C36 (1)

Weight, g/mol:

746.423614

ΔHf, kcal/mol:

159.25

Dipole, Da:

1.74

IP(EA), eV:

 -8.26(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[10-(3-ethenyl-1-benzofuran-2-yl)-5,6,9-trimethylideneundeca-1,3,7,10-tetraen-2-yl]-N-hexa-2,4-dien-3-yl-4-[6-(N-hexa-1,3,5-trienylanilino)hexa-2,4-dien-3-yl]aniline

Drug info:

PubChemData

Smile

C=CC=C(C=C)C1=CC=C(C=C1)C=CCC(C=C)NC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations