Geometry & MOs

Info

ID:

316773

PubChem CID:

126631743

Reduced:

O3N8H78C124 (1)

Stoich.:

A3B8C78D124 (1)

Weight, g/mol:

1803.654343

ΔHf, kcal/mol:

511.95

Dipole, Da:

2.4

IP(EA), eV:

 -7.72(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2,6-bis[3-(4-dibenzofuran-3-yl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]pyrimidin-4-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C8=CC=CC(=C8)C9=CC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC3=C1OC1=CC=CC=C31)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC=CC3=C1OC1=CC=CC=C31)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations