Geometry & MOs

Info

ID:	424148
PubChem CID:	135121493
Reduced:	NO7C14H15 (1)
Stoich.:	AB7C14D15 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	-274.87
Dipole, Da:	5.8
IP(EA), eV:	-9.86(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-7-(methylamino)isoquinoline-5,8-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)NC(CO)(CO)CO

DOS

IR

Vibrations