Geometry & MOs

Info

ID:

442512

PubChem CID:

135252595

Reduced:

N4H25C38 (2)

Stoich.:

A4B25C38 (2)

Weight, g/mol:

971.329889

ΔHf, kcal/mol:

404.15

Dipole, Da:

2.37

IP(EA), eV:

 -8.08(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=NC=C5)C6=CC=C(C=C6)C7=CC(=CC(=C7)C8=C9C=CC1=C(C9=NC=C8)N=CC=C1)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=CN=C2

DOS

IR

Vibrations