Geometry & MOs

Info

ID:	267444
PubChem CID:	103582244
Reduced:	BrClSN4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	315.9978
ΔH_f, kcal/mol:	33.73
Dipole, Da:	3.78
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-3-chloropyridin-2-yl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C(=S)N)N1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations