Geometry & MOs

Info

ID:	149419
PubChem CID:	53789092
Reduced:	BrNSO3H4C7 (1)
Stoich.:	ABCD3E4F7 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	4.57
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperazin-2-ylpyridin-2-one

Drug info:

PubChemData

Smile

C1=C(C(=CS1)Br)C2=C(NC(=O)O2)O

DOS

IR

Vibrations