Geometry & MOs

Info

ID:

329340

PubChem CID:

126734972

Reduced:

N7H43C72 (1)

Stoich.:

A7B43C72 (1)

Weight, g/mol:

1005.357994

ΔHf, kcal/mol:

407.13

Dipole, Da:

6.55

IP(EA), eV:

 -8.02(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzene-1,4-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC(=C(C(=C5)C#N)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=C7C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

DOS

IR

Vibrations