Geometry & MOs

Info

ID:	24797
PubChem CID:	613630
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	7.31
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2C3=CC(=C(C=C3C(=O)NC2=O)OC)OC)OC

DOS

IR

Vibrations