Geometry & MOs

Info

ID:	172620
PubChem CID:	75531241
Reduced:	BClO3C6H8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	258.095748
ΔH_f, kcal/mol:	-198.7
Dipole, Da:	3.78
IP(EA), eV:	-9.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylsulfanylphenyl)methyl]piperazine;hydrochloride

Drug info:

PubChemData

Smile

B(C1=CC=C(C=C1)Cl)(O)O.O

DOS

IR

Vibrations