Geometry & MOs

Info

ID:

377384

PubChem CID:

134223434

Reduced:

SN3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

921.346761

ΔHf, kcal/mol:

248.08

Dipole, Da:

1.65

IP(EA), eV:

 -7.94(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C8C(=C6)C9=CC=CC=C9N8C1=CC=CC=C1)C1=C2C=C2C(=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations