Geometry & MOs

Info

ID:	267296
PubChem CID:	103581691
Reduced:	BrClNSC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	315.9978
ΔH_f, kcal/mol:	11.38
Dipole, Da:	4.69
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-3-chlorophenyl)methylamino]piperidin-2-one

Drug info:

PubChemData

Smile

C1CSCCC1NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations