Geometry & MOs

Info

ID:

316698

PubChem CID:

126631578

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1077.426743

ΔHf, kcal/mol:

409.35

Dipole, Da:

1.53

IP(EA), eV:

 -7.9(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4,6-bis[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,9-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=NC(=NC7=C6C=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations