Geometry & MOs

Info

ID:	129299
PubChem CID:	51072211
Reduced:	N2O3C9H10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	187.080459
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	9.12
IP(EA), eV:	-10.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylquinolin-5-yl)boronic acid

Drug info:

PubChemData

Smile

CN1C2=C(CC(=O)CC2)C(=N1)C(=O)O

DOS

IR

Vibrations