Geometry & MOs

Info

ID:

442513

PubChem CID:

135252596

Reduced:

N3F5H42C66 (1)

Stoich.:

A3B5C42D66 (1)

Weight, g/mol:

883.367496

ΔHf, kcal/mol:

68.02

Dipole, Da:

0.95

IP(EA), eV:

 -7.94(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-(2,6-diphenylpyrimidin-4-yl)-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=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations