Geometry & MOs

Info

ID:

377451

PubChem CID:

134223504

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

714.205576

ΔHf, kcal/mol:

190.92

Dipole, Da:

2.59

IP(EA), eV:

 -8.03(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,2-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=C9S8)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations