Geometry & MOs

Info

ID:

377595

PubChem CID:

134223656

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

689.210327

ΔHf, kcal/mol:

190.34

Dipole, Da:

1.46

IP(EA), eV:

 -7.95(-0.86)

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]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C(=C6)C8=CC=CC=C8O7)C9=CC=CC=C9)C1=C2C=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations