Geometry & MOs

Info

ID:	328912
PubChem CID:	126729184
Reduced:	OH18C20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	1249.417818
ΔH_f, kcal/mol:	28.16
Dipole, Da:	1.63
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(9-dibenzothiophen-4-ylcarbazol-3-yl)-2-[9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(CC=C(C=C1)C2=CC3=C(C=C2)C4=CC=CC=C4O3)C

DOS

IR

Vibrations