Geometry & MOs

Info

ID:	388634
PubChem CID:	134989702
Reduced:	NO3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	300.95998
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	5.94
IP(EA), eV:	-10.09(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-6-methoxy-2H-isoquinolin-3-one

Drug info:

PubChemData

Smile

CC(=O)N1CC(=C)OC(=O)C1

DOS

IR

Vibrations