Geometry & MOs

Info

ID:

377608

PubChem CID:

134223670

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

224.21

Dipole, Da:

2.85

IP(EA), eV:

 -7.75(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C7=C(C=C6)OC8=CC=CC=C87)C9=CC=CC=C9)C1=C2C=CC2=C1C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations