Geometry & MOs

Info

ID:	294590
PubChem CID:	117472332
Reduced:	SO3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	292.206325
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	5.58
IP(EA), eV:	-8.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(piperazin-1-ylmethyl)phenyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=CC=C2OC3CCSCC3)C(=O)O

DOS

IR

Vibrations