Geometry & MOs

Info

ID:	409498
PubChem CID:	135082280
Reduced:	NK2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	146.060589
ΔH_f, kcal/mol:	-143.49
Dipole, Da:	9.58
IP(EA), eV:	-5.78(0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

isoquinolin-2-ium-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N-]C1=CC=C[C-]=C1OC.[K+].[K+]

DOS

IR

Vibrations