Geometry & MOs

Info

ID:	336363
PubChem CID:	127255370
Reduced:	ClNSO4C11H16 (1)
Stoich.:	ABCD4E11F16 (1)
Weight, g/mol:	187.057137
ΔH_f, kcal/mol:	-190.08
Dipole, Da:	9.04
IP(EA), eV:	-10.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2-methylphenyl)boronic acid;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl

DOS

IR

Vibrations