Geometry & MOs

Info

ID:

446257

PubChem CID:

135273575

Reduced:

N3H22C33 (2)

Stoich.:

A3B22C33 (2)

Weight, g/mol:

920.362745

ΔHf, kcal/mol:

327.13

Dipole, Da:

2.5

IP(EA), eV:

 -8.25(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC(=CC(=C4N5C6=C(C=C(C=C6)C)C7=CC=CC=C75)C8=C(C(=CC(=C8)C#N)N9C1=C(C=C(C=C1)C)C1=CC=CC=C19)N1C2=C(C=C(C=C2)C)C2=CC=CC=C21)C#N

DOS

IR

Vibrations