Geometry & MOs

Info

ID:	387790
PubChem CID:	134986941
Reduced:	N2S2O3C12H18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	4.93
IP(EA), eV:	-8.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethoxy-2-propan-2-ylisoquinolin-1-one

Drug info:

PubChemData

Smile

CCNC1=C(SC(=C(S1)NCC)C(=O)OC)C(=O)C

DOS

IR

Vibrations