Geometry & MOs

Info

ID:	374962
PubChem CID:	131407912
Reduced:	N2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	223.059306
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	4.06
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-4,5-dioxo-4a,6-dihydropyrrolo[3,4-d]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(COC2=C(N1)C(=NO2)C(=O)OC)C

DOS

IR

Vibrations