Geometry & MOs

Info

ID:	230445
PubChem CID:	87570917
Reduced:	NO2S2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	282.088353
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	4.53
IP(EA), eV:	-8.93(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=CC=C1SSC2=CC=CC=N2

DOS

IR

Vibrations