Geometry & MOs

Info

ID:

377407

PubChem CID:

134223458

Reduced:

ON2H36C55 (1)

Stoich.:

AB2C36D55 (1)

Weight, g/mol:

816.277678

ΔHf, kcal/mol:

189.96

Dipole, Da:

1.63

IP(EA), eV:

 -8.02(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-phenylphenyl)-10-[7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC7=CC=CC=C76)C=CC(=C5)C8=CC9=C(C=C8)OC1=C9C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations