Geometry & MOs

Info

ID:	49079
PubChem CID:	11528686
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	225.09948
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	3.8
IP(EA), eV:	-9.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(piperidin-1-ylmethyl)thiophen-3-yl]boronic acid

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H]1CC(=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations