Geometry & MOs

Info

ID:	267445
PubChem CID:	103582249
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	315.9978
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	4.26
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations