Geometry & MOs

Info

ID:

377636

PubChem CID:

134223700

Reduced:

ON2H17C29 (2)

Stoich.:

AB2C17D29 (2)

Weight, g/mol:

921.346761

ΔHf, kcal/mol:

229.77

Dipole, Da:

3.51

IP(EA), eV:

 -8.25(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)OC7=C6C=C(C=C7)C8=CC9=C(C=C8)C1=C(N9C2=CC=CC=C2)C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations