Geometry & MOs

Info

ID:	371667
PubChem CID:	131270245
Reduced:	BrNOSH6C11 (1)
Stoich.:	ABCDE6F11 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	42.87
Dipole, Da:	2.94
IP(EA), eV:	-9.35(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyridin-3-yl)piperazin-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)C=O)C#N)CBr

DOS

IR

Vibrations