Geometry & MOs

Info

ID:	266933
PubChem CID:	103580124
Reduced:	BrClN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	345.02435
ΔH_f, kcal/mol:	8.61
Dipole, Da:	3.34
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-bromo-3-chloropyridin-2-yl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations