Geometry & MOs

Info

ID:

377680

PubChem CID:

134223744

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

818.304562

ΔHf, kcal/mol:

222.86

Dipole, Da:

3.25

IP(EA), eV:

 -7.94(-0.87)

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-phenylquinazolin-2-yl)-[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)N(C6=C5C=C7C(=C6)C8=CC=CC=C8O7)C9=CC=CC=C9)C1=C2C=CC2=C1N(C1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations