Geometry & MOs

Info

ID:	211373
PubChem CID:	80941037
Reduced:	ClF2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	249.122575
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	2.78
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations