Geometry & MOs

Info

ID:

377452

PubChem CID:

134223505

Reduced:

ON2H13C25 (2)

Stoich.:

AB2C13D25 (2)

Weight, g/mol:

689.210327

ΔHf, kcal/mol:

228.44

Dipole, Da:

6.63

IP(EA), eV:

 -8.21(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC(=C9C#N)C#N)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations