Geometry & MOs

Info

ID:	295031
PubChem CID:	117512275
Reduced:	BrNS2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	331.0064
ΔH_f, kcal/mol:	19.37
Dipole, Da:	0.97
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-4,5-bis(methylsulfanyl)phenyl]piperidine

Drug info:

PubChemData

Smile

CSC1=C(C(=CC(=C1)C2(CCCC2)N)Br)SC

DOS

IR

Vibrations