Geometry & MOs

Info

ID:

377655

PubChem CID:

134223719

Reduced:

ON5H43C66 (1)

Stoich.:

AB5C43D66 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

280.57

Dipole, Da:

2.4

IP(EA), eV:

 -8.07(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-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)OC9=C8C=C1C2=CC=CC=C2N(C1=C9)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations