Geometry & MOs

Info

ID:	135847
PubChem CID:	51948784
Reduced:	BrNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	370.260686
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	3.11
IP(EA), eV:	-9.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5-cyanopyridin-2-yl)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(C=C1)Br)NC(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations