Geometry & MOs

Info

ID:

329316

PubChem CID:

126734555

Reduced:

N6H36C59 (1)

Stoich.:

A6B36C59 (1)

Weight, g/mol:

980.362745

ΔHf, kcal/mol:

329.63

Dipole, Da:

4.48

IP(EA), eV:

 -8.06(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=C5C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

DOS

IR

Vibrations