Geometry & MOs

Info

ID:

377558

PubChem CID:

134223616

Reduced:

ON5H39C60 (1)

Stoich.:

AB5C39D60 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

257.66

Dipole, Da:

2.95

IP(EA), eV:

 -8.02(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-3-yl]-7-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)C=CC(=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations