Geometry & MOs

Info

ID:	246809
PubChem CID:	103065024
Reduced:	SN2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	2.27
IP(EA), eV:	-8.51(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-6-ethyl-1-(thiolan-3-yl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCC1(CN(CCN1)C2CCSC2)C

DOS

IR

Vibrations