Geometry & MOs

Info

ID:

327780

PubChem CID:

126691049

Reduced:

SN2H40C55 (1)

Stoich.:

AB2C40D55 (1)

Weight, g/mol:

736.29122

ΔHf, kcal/mol:

242.1

Dipole, Da:

1.94

IP(EA), eV:

 -7.83(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1Z)-1-(5-ethenyl-3-methylthiophen-2-yl)buta-1,3-dienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC9=C8SC(=C9C=C)C=C)C1=CC=CC=C12

DOS

IR

Vibrations