Geometry & MOs

Info

ID:	199723
PubChem CID:	79287375
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	5.86
IP(EA), eV:	-9.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(prop-2-ynylamino)acetamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CNCC#C

DOS

IR

Vibrations