Geometry & MOs

Info

ID:	342189
PubChem CID:	127264902
Reduced:	SCl2N2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	6.05
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;N-(2-piperidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CN)CC2=CSC=C2.Cl.Cl

DOS

IR

Vibrations