Geometry & MOs

Info

ID:

377726

PubChem CID:

134223790

Reduced:

ON5H43C66 (1)

Stoich.:

AB5C43D66 (1)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

279.36

Dipole, Da:

2.34

IP(EA), eV:

 -8.04(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C7=CC=CC=C7OC6=C5)C8=CC=CC(=C8)C9=NC(=NC(=N9)C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=C1C(=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C

DOS

IR

Vibrations