Geometry & MOs

Info

ID:	84141
PubChem CID:	49864508
Reduced:	BrO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	166.050905
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	3.33
IP(EA), eV:	-8.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-piperazine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)Br)OC(=O)C(=C2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations