Geometry & MOs

Info

ID:	273923
PubChem CID:	103805876
Reduced:	FON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	4.87
IP(EA), eV:	-9.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)F)OCCCC#N

DOS

IR

Vibrations