Geometry & MOs

Info

ID:

377471

PubChem CID:

134223526

Reduced:

ON5H39C60 (1)

Stoich.:

AB5C39D60 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

257.2

Dipole, Da:

0.91

IP(EA), eV:

 -8.23(-1.16)

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-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=CC(=C5)C9=CC1=C(C=C9)OC2=C1C=C1C3=CC=CC=C3N(C1=C2)C1=CC=CC=C1)C

DOS

IR

Vibrations