Geometry & MOs

Info

ID:	289381
PubChem CID:	104348401
Reduced:	BrSO2N3C13H20 (1)
Stoich.:	ABC2D3E13F20 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	2.27
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-1-pyridin-2-ylpropyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(C1=CC(=CS1)Br)N2CCC(C2)NC(=O)OC)N

DOS

IR

Vibrations