Geometry & MOs

Info

ID:	314922
PubChem CID:	126623970
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	369.00103
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	3.89
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromopyridin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)C(=O)NCC2=NC(=CC=C2)Br

DOS

IR

Vibrations