Geometry & MOs

Info

ID:	249447
PubChem CID:	103089483
Reduced:	SN2O2C10H20 (1)
Stoich.:	AB2C2D10E20 (1)
Weight, g/mol:	259.171834
ΔH_f, kcal/mol:	-92.33
Dipole, Da:	8.59
IP(EA), eV:	-8.65(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(4-methylsulfanylbutyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CSCCCCN1CCNCC1C(=O)O

DOS

IR

Vibrations