Geometry & MOs

Info

ID:	230389
PubChem CID:	87570766
Reduced:	NSH15C19 (2)
Stoich.:	ABC15D19 (2)
Weight, g/mol:	282.088353
ΔH_f, kcal/mol:	170.5
Dipole, Da:	3.24
IP(EA), eV:	-8.0(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=C(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)S)S

DOS

IR

Vibrations