Geometry & MOs

Info

ID:

311231

PubChem CID:

126589990

Reduced:

NH21C27 (2)

Stoich.:

AB21C27 (2)

Weight, g/mol:

739.298748

ΔHf, kcal/mol:

346.07

Dipole, Da:

1.65

IP(EA), eV:

 -8.08(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1C(C=CC=C1N2C3C=CC=CC3C4=C2C=CC(=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8C7C=CC=C8)C9=CC=CC(=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations