Geometry & MOs

Info

ID:	199289
PubChem CID:	79226788
Reduced:	OSC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	290.18167
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	1.93
IP(EA), eV:	-8.46(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCC2CSC3=CC=CC=C23

DOS

IR

Vibrations