Geometry & MOs

Info

ID:	260611
PubChem CID:	103197407
Reduced:	ClOSN3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	261.088019
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	2.78
IP(EA), eV:	-9.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-chloroacetyl)-3-N-methylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)CCC2=NC(=CS2)CCl

DOS

IR

Vibrations