Geometry & MOs

Info

ID:

377408

PubChem CID:

134223460

Reduced:

NOH18C30 (2)

Stoich.:

ABC18D30 (2)

Weight, g/mol:

816.277678

ΔHf, kcal/mol:

204.7

Dipole, Da:

2.71

IP(EA), eV:

 -8.09(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-phenylphenyl)-10-[7-(4-phenylphenyl)-[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(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC=CC(=C1)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations