Geometry & MOs

Info

ID:

446256

PubChem CID:

135273555

Reduced:

O2N3H18C31 (2)

Stoich.:

A2B3C18D31 (2)

Weight, g/mol:

920.362745

ΔHf, kcal/mol:

232.77

Dipole, Da:

3.38

IP(EA), eV:

 -8.19(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-cyano-2,3-bis(3-methylcarbazol-9-yl)phenyl]-4,5-bis(3-methylcarbazol-9-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)C4=CC(=C(C(=C4)N5C6=CC=CC=C6OC7=CC=CC=C75)C8=C(C=C(C=C8N9C1=CC=CC=C1OC1=CC=CC=C19)N1C2=CC=CC=C2OC2=CC=CC=C21)C#N)C#N

DOS

IR

Vibrations