Geometry & MOs

Info

ID:	191900
PubChem CID:	78199625
Reduced:	SN2O5C12H12 (1)
Stoich.:	AB2C5D12E12 (1)
Weight, g/mol:	192.053492
ΔH_f, kcal/mol:	-142.52
Dipole, Da:	2.29
IP(EA), eV:	-9.86(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-3aH-pyrrolo[3,4-c]pyridine-1,3,4-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1C=C(C(=NC1=O)SCC(=O)OC)C#N

DOS

IR

Vibrations