Geometry & MOs

Info

ID:

316321

PubChem CID:

126630642

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2149.791446

ΔHf, kcal/mol:

798.9

Dipole, Da:

3.76

IP(EA), eV:

 -8.0(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,6-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=C5C=CC=C6C7=CC=CC8=C7N(C9=CC=CC=C89)C1=CC=CC(=C1)C1=CC(=NC(=N1)C1=CC(=CC=C1)N1C3=CC=CC=C3C3=C1C(=CC=C3)C1=CC=CC3=C1N(C1=C3C=CC=C1C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N1C3=CC=CC=C3C3=C1C(=CC=C3)C1=CC=CC3=C1N(C1=C3C=CC=C1C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations