Geometry & MOs

Info

ID:	377840
PubChem CID:	134223905
Reduced:	BrNOH16C22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	623.174142
ΔH_f, kcal/mol:	67.3
Dipole, Da:	2.82
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dibenzothiophen-4-yl-6-[3-dibenzothiophen-4-yl-2-(2-phenylethyl)phenyl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations