Geometry & MOs

Info

ID:	246793
PubChem CID:	103064995
Reduced:	SN2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	256.19732
ΔH_f, kcal/mol:	5.21
Dipole, Da:	2.62
IP(EA), eV:	-8.5(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CN(C(CN1)C2=CC=CC=C2)C3CCSC3)CC

DOS

IR

Vibrations