Geometry & MOs

Info

ID:

329317

PubChem CID:

126734584

Reduced:

N6H44C71 (1)

Stoich.:

A6B44C71 (1)

Weight, g/mol:

1034.384544

ΔHf, kcal/mol:

373.01

Dipole, Da:

6.98

IP(EA), eV:

 -7.99(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)N9C1=CC=CC=C1C1=CC=CC=C19)C1=C7C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

DOS

IR

Vibrations