Geometry & MOs

Info

ID:

377559

PubChem CID:

134223617

Reduced:

ON4H40C61 (1)

Stoich.:

AB4C40D61 (1)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

243.67

Dipole, Da:

4.38

IP(EA), eV:

 -8.1(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=NC(=CC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C(C=C5)C9=CC1=C(C=C9)N(C2=C1C=C1C3=CC=CC=C3OC1=C2)C1=CC=CC=C1)C

DOS

IR

Vibrations