Geometry & MOs

Info

ID:

377311

PubChem CID:

134223359

Reduced:

ON5H45C66 (1)

Stoich.:

AB5C45D66 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

268.18

Dipole, Da:

6.99

IP(EA), eV:

 -8.02(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-(2,6-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-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=CC=CC(=C1)C1=NC(N=C(N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations