Geometry & MOs

Info

ID:	177696
PubChem CID:	76218278
Reduced:	NSF3O3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	256.189926
ΔH_f, kcal/mol:	-241.36
Dipole, Da:	7.76
IP(EA), eV:	-9.77(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxybutanimidamide

Drug info:

PubChemData

Smile

CN(CC(F)(F)F)C(=O)C1=C(C=CS1)C=CC(=O)O

DOS

IR

Vibrations