Geometry & MOs

Info

ID:	374964
PubChem CID:	131408089
Reduced:	O2N3C7H7 (1)
Stoich.:	A2B3C7D7 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	1.81
IP(EA), eV:	-10.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(3R)-piperidin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=COC(=N1)C(C2=CN=CO2)N

DOS

IR

Vibrations