Geometry & MOs

Info

ID:

329319

PubChem CID:

126734610

Reduced:

N6H48C71 (1)

Stoich.:

A6B48C71 (1)

Weight, g/mol:

853.295394

ΔHf, kcal/mol:

369.21

Dipole, Da:

4.87

IP(EA), eV:

 -7.71(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-(3-cyanocarbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile

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)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=C7C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C#N

DOS

IR

Vibrations