Geometry & MOs

Info

ID:	294521
PubChem CID:	117466462
Reduced:	ClSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	288.104084
ΔH_f, kcal/mol:	-150.81
Dipole, Da:	7.83
IP(EA), eV:	-9.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-3-fluoro-5,6-dimethoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C(=CC=C1)Cl)C2(CCC2)C(=O)O

DOS

IR

Vibrations