Geometry & MOs

Info

ID:	20044
PubChem CID:	577576
Reduced:	BO3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	162.048824
ΔH_f, kcal/mol:	-160.78
Dipole, Da:	3.92
IP(EA), eV:	-9.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,3,2-benzodioxaborinin-4-one

Drug info:

PubChemData

Smile

B1(OC2=CC=CC=C2C(=O)O1)C

DOS

IR

Vibrations