Geometry & MOs

Info

ID:

377306

PubChem CID:

134223354

Reduced:

O2N5H33C57 (1)

Stoich.:

A2B5C33D57 (1)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

243.45

Dipole, Da:

1.42

IP(EA), eV:

 -8.2(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations