Geometry & MOs

Info

ID:	304089
PubChem CID:	124492778
Reduced:	BrN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	4.95
Dipole, Da:	5.3
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(6-bromopyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1CCCC[C@@H]1C2=CN=C(C=C2)Br

DOS

IR

Vibrations