Geometry & MOs

Info

ID:	267447
PubChem CID:	103582251
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	287.9665
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	3.12
IP(EA), eV:	-8.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)piperidin-3-one

Drug info:

PubChemData

Smile

CN(C1CCC2(CC1)OCCO2)C3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations