Geometry & MOs

Info

ID:

377656

PubChem CID:

134223720

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

921.346761

ΔHf, kcal/mol:

243.84

Dipole, Da:

3.79

IP(EA), eV:

 -7.97(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C7=CC=CC=C7OC6=C5)C8=NC(=CC(=N8)C9=CC=CC=C9)C2=CC=CC=C2)C2=C1C=C1C(=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C

DOS

IR

Vibrations