Geometry & MOs

Info

ID:

299377

PubChem CID:

117682755

Reduced:

ON2H44C66 (1)

Stoich.:

AB2C44D66 (1)

Weight, g/mol:

958.392314

ΔHf, kcal/mol:

254.51

Dipole, Da:

2.33

IP(EA), eV:

 -8.03(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[4-[N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]-2-phenylphenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC(=CC=C4)C5=CC(=CC=C5)C6=CC=CC7=C6OC8=CC=CC=C78)C9=CC=C(C=C9)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations