Geometry & MOs

Info

ID:	370925
PubChem CID:	127341328
Reduced:	NOSC11H21 (1)
Stoich.:	ABCD11E21 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-66.49
Dipole, Da:	2.31
IP(EA), eV:	-8.42(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylthiomorpholin-4-yl)acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1CSCCN1CC2CCCCO2

DOS

IR

Vibrations