Geometry & MOs

Info

ID:

377654

PubChem CID:

134223718

Reduced:

ON5H43C66 (1)

Stoich.:

AB5C43D66 (1)

Weight, g/mol:

921.346761

ΔHf, kcal/mol:

279.85

Dipole, Da:

1.59

IP(EA), eV:

 -8.05(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C=CC(=C5)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations