Geometry & MOs

Info

ID:	31143
PubChem CID:	854755
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	4.4
IP(EA), eV:	-8.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-oxo-2H-isoquinoline-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N

DOS

IR

Vibrations