Geometry & MOs

Info

ID:

316325

PubChem CID:

126630653

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2251.838396

ΔHf, kcal/mol:

819.31

Dipole, Da:

3.22

IP(EA), eV:

 -8.0(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,6-bis[3-[2,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2,6-bis(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=CC5=C4N(C6=CC=CC=C56)C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C3=CC=CC=C3C3=C1C(=CC=C3)C1=CC3=C(C=C1)N(C1=C3C=CC(=C1)C1=CC3=C(C=C1)C1=CC=CC=C1N3C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N1C3=CC=CC=C3C3=C1C(=CC=C3)C1=CC3=C(C=C1)N(C1=C3C=CC(=C1)C1=CC3=C(C=C1)C1=CC=CC=C1N3C1=CC=CC=C1)C1=CC=CC=C1)C1=C2C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations