Geometry & MOs

Info

ID:

377349

PubChem CID:

134223398

Reduced:

ON2H38C57 (1)

Stoich.:

AB2C38D57 (1)

Weight, g/mol:

714.205576

ΔHf, kcal/mol:

196.33

Dipole, Da:

3.06

IP(EA), eV:

 -8.0(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC(=CC=C7)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations