Geometry & MOs

Info

ID:	7339
PubChem CID:	72191
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	217.073893
ΔH_f, kcal/mol:	-64.64
Dipole, Da:	1.94
IP(EA), eV:	-9.6(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1,6-dimethylisoquinoline-5,8-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)C=CN=C2C)OC

DOS

IR

Vibrations