Geometry & MOs

Info

ID:	411022
PubChem CID:	135083827
Reduced:	BrMgSH5C6 (1)
Stoich.:	ABCD5E6 (1)
Weight, g/mol:	232.090689
ΔH_f, kcal/mol:	-4.36
Dipole, Da:	0.96
IP(EA), eV:	-8.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethoxynaphthalen-1-yl)boronic acid

Drug info:

PubChemData

Smile

C1=C[C-]=CC(=C1)S.[Mg+2].[Br-]

DOS

IR

Vibrations