Geometry & MOs

Info

ID:	246806
PubChem CID:	103065018
Reduced:	SN2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	228.16602
ΔH_f, kcal/mol:	12.04
Dipole, Da:	2.52
IP(EA), eV:	-8.52(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN(C(CN1)C2=CC=CC=C2)C3CCSC3)C

DOS

IR

Vibrations