Geometry & MOs

Info

ID:

329323

PubChem CID:

126734716

Reduced:

N7H35C61 (1)

Stoich.:

A7B35C61 (1)

Weight, g/mol:

983.348492

ΔHf, kcal/mol:

374.9

Dipole, Da:

10.92

IP(EA), eV:

 -8.64(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-5-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=C(C=C(C=C1)C#N)C1=C9C=CC(=C1)C#N)C1=CC=CC=C17)C#N

DOS

IR

Vibrations