Geometry & MOs

Info

ID:	7154
PubChem CID:	71409
Reduced:	BrNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	303.04701
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	1.35
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol;hydrobromide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)[C@H](C2=CC(=C(C=C2)O)O)O.Br

DOS

IR

Vibrations