Geometry & MOs

Info

ID:

329318

PubChem CID:

126734608

Reduced:

N8H46C73 (1)

Stoich.:

A8B46C73 (1)

Weight, g/mol:

984.394046

ΔHf, kcal/mol:

436.35

Dipole, Da:

2.12

IP(EA), eV:

 -7.8(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC(=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1C#N)C1=CC=CC=C1C#N)C#N

DOS

IR

Vibrations