Geometry & MOs

Info

ID:

329005

PubChem CID:

126730290

Reduced:

N5H49C62 (1)

Stoich.:

A5B49C62 (1)

Weight, g/mol:

933.357994

ΔHf, kcal/mol:

254.02

Dipole, Da:

1.29

IP(EA), eV:

 -7.59(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=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=C(C=C7)C)C8=CC=C(C=C8)C9=CC(=NC(=N9)C1=CC=CC=C1C)C1=CC=CC=C1C

DOS

IR

Vibrations