Geometry & MOs

Info

ID:

377470

PubChem CID:

134223525

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

845.315461

ΔHf, kcal/mol:

179.25

Dipole, Da:

1.34

IP(EA), eV:

 -8.01(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C=CC9=C8OC1=CC=CC=C91)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations