Geometry & MOs

Info

ID:

377592

PubChem CID:

134223652

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

1556.456706

ΔHf, kcal/mol:

163.96

Dipole, Da:

2.6

IP(EA), eV:

 -8.08(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[10-[7-(3-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-4-[4-[2-[7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)C9=CC=CC=C9O8)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations