Geometry & MOs

Info

ID:	377257
PubChem CID:	134223302
Reduced:	BrNO2H22C28 (1)
Stoich.:	ABC2D22E28 (1)
Weight, g/mol:	459.02925
ΔH_f, kcal/mol:	21.78
Dipole, Da:	5.46
IP(EA), eV:	-7.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-bromo-2-methylsulfinylphenyl)-1-phenylbenzo[de]quinoline

Drug info:

PubChemData

Smile

CCC(=O)COC1=C(C=CC(=C1)Br)C2=CC3=C4C(=CC=CC4=C2)C=CN3C5=CC=CC=C5

DOS

IR

Vibrations