Geometry & MOs

Info

ID:

377304

PubChem CID:

134223352

Reduced:

ON2H17C29 (2)

Stoich.:

AB2C17D29 (2)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

229.81

Dipole, Da:

3.09

IP(EA), eV:

 -8.11(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(2,6-diphenylpyrimidin-4-yl)-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=CC(=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