Geometry & MOs

Info

ID:	295055
PubChem CID:	117513555
Reduced:	SO4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	336.187149
ΔH_f, kcal/mol:	-144.2
Dipole, Da:	7.47
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-methoxy-4-(thian-3-yloxy)phenyl]ethyl]piperazine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CCSCC2)C(CC(=O)O)C3CC3

DOS

IR

Vibrations