Geometry & MOs

Info

ID:	144979
PubChem CID:	53443694
Reduced:	F2O4C5H5 (1)
Stoich.:	A2B4C5D5 (1)
Weight, g/mol:	288.079619
ΔH_f, kcal/mol:	-243.13
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767788
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chloroethyl)piperazin-1-yl]-phenylmethanone;hydrochloride

Drug info:

PubChemData

Smile

COC(C(=O)C(F)F)C(=O)[O-]

DOS

IR

Vibrations