Geometry & MOs

Info

ID:

377564

PubChem CID:

134223622

Reduced:

SN2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

201.91

Dipole, Da:

3.79

IP(EA), eV:

 -8.04(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=C1C(=C9)C2=CC=CC=C2S1)C

DOS

IR

Vibrations