Geometry & MOs

Info

ID:	210070
PubChem CID:	80757760
Reduced:	FNO2C5H5 (2)
Stoich.:	ABC2D5E5 (2)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	-250.09
Dipole, Da:	3.8
IP(EA), eV:	-9.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)NC(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations