Geometry & MOs

Info

ID:

316721

PubChem CID:

126631644

Reduced:

N4H32C47 (2)

Stoich.:

A4B32C47 (2)

Weight, g/mol:

1306.523998

ΔHf, kcal/mol:

459.8

Dipole, Da:

1.69

IP(EA), eV:

 -7.9(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC(=NC(=N7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=C9C=C(C=C1)N(C1=CC=CC=C1)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