Geometry & MOs

Info

ID:	246807
PubChem CID:	103065020
Reduced:	SN2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	242.18167
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	1.97
IP(EA), eV:	-8.52(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-propan-2-yl-1-(thiolan-3-yl)piperazine

Drug info:

PubChemData

Smile

CC1CN(C(CN1)C(C)C)C2CCSC2

DOS

IR

Vibrations