Geometry & MOs

Info

ID:

446738

PubChem CID:

135277327

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

745.243936

ΔHf, kcal/mol:

217.92

Dipole, Da:

1.61

IP(EA), eV:

 -7.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-dibenzothiophen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=C(C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC=C1

DOS

IR

Vibrations