Geometry & MOs

Info

ID:	336486
PubChem CID:	127255493
Reduced:	BrClNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	339.067195
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	1.99
IP(EA), eV:	-9.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminopiperidin-1-yl)-1-(6-chloropyridin-3-yl)propan-1-one;dihydrochloride

Drug info:

PubChemData

Smile

COC(=O)C[C@H](C1=CC=C(C=C1)Br)N.Cl

DOS

IR

Vibrations