Geometry & MOs

Info

ID:	13261
PubChem CID:	224567
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	3.93
IP(EA), eV:	-8.47(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C(=O)N1)O

DOS

IR

Vibrations