Geometry & MOs

Info

ID:	80694
PubChem CID:	49835904
Reduced:	Cl2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	191.075373
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	1.28
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)boronic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C2=C1CCO2)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations