Geometry & MOs

Info

ID:	341240
PubChem CID:	127263675
Reduced:	Cl2F3H3N4C7 (1)
Stoich.:	A2B3C3D4E7 (1)
Weight, g/mol:	166.087291
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	5.88
IP(EA), eV:	-10.04(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2R)-piperazin-2-yl]ethanol;hydrochloride

Drug info:

PubChemData

Smile

C1=NC2=C(N1CC(F)(F)F)C(=NC(=N2)Cl)Cl

DOS

IR

Vibrations