Geometry & MOs

Info

ID:

377548

PubChem CID:

134223606

Reduced:

ON2H42C67 (1)

Stoich.:

AB2C42D67 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

248.96

Dipole, Da:

2.46

IP(EA), eV:

 -7.94(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-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)C7=C8C=CC=C9C8=C(C=C7)C1=CC=CC=C19)C=CC(=C5)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations