Geometry & MOs

Info

ID:	377253
PubChem CID:	134223298
Reduced:	BrNSH14C24 (1)
Stoich.:	ABCD14E24 (1)
Weight, g/mol:	411.06226
ΔH_f, kcal/mol:	175.87
Dipole, Da:	3.52
IP(EA), eV:	-7.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC3=CC=CC4=CC5=C(C2=C34)SC6=C5C=CC(=C6)Br

DOS

IR

Vibrations