Geometry & MOs

Info

ID:	59149
PubChem CID:	24771249
Reduced:	FON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	215.08071
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	5.08
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopyrimidin-4-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=CC3=C(N2)C(NC3=O)CCF

DOS

IR

Vibrations