Geometry & MOs

Info

ID:

319530

PubChem CID:

126656548

Reduced:

ON2H30C45 (1)

Stoich.:

AB2C30D45 (1)

Weight, g/mol:

805.284161

ΔHf, kcal/mol:

174.3

Dipole, Da:

3.46

IP(EA), eV:

 -7.83(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C5=C3N(C6=C5C7=CC=CC=C7C=C6)C8=CC=CC=C8)OC9C4C=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations