Geometry & MOs

Info

ID:

316689

PubChem CID:

126631559

Reduced:

N4H27C38 (2)

Stoich.:

A4B27C38 (2)

Weight, g/mol:

1076.431494

ΔHf, kcal/mol:

391.03

Dipole, Da:

7.39

IP(EA), eV:

 -7.65(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-9-[4-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)pyrimidin-2-yl]carbazol-2-amine

Drug info:

PubChemData

Smile

C1C(N=C(N=C1N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations