Geometry & MOs

Info

ID:

311218

PubChem CID:

126589937

Reduced:

NOH37C56 (1)

Stoich.:

ABC37D56 (1)

Weight, g/mol:

753.278013

ΔHf, kcal/mol:

191.88

Dipole, Da:

1.3

IP(EA), eV:

 -8.13(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]cyclohexa-2,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC3=C(C=C2)C(C4=C3C=CC(=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C8=CC=CC=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations