Geometry & MOs

Info

ID:

425915

PubChem CID:

135131117

Reduced:

N7H47C62 (1)

Stoich.:

A7B47C62 (1)

Weight, g/mol:

1104.581846

ΔHf, kcal/mol:

293.78

Dipole, Da:

7.71

IP(EA), eV:

 -8.11(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-ditert-butyl-9-[2-carbazol-9-yl-3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=CC=CC(=C3N2C4=CC(=CC(=C4N5C6=C(C=CN=C6C7=NC=CC(=C75)C)C)N8C9=C(C=CC=C9C1=CC=CC(=C18)C)C)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations