Geometry & MOs

Info

ID:	130083
PubChem CID:	51074884
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	320.110711
ΔH_f, kcal/mol:	33.41
Dipole, Da:	5.03
IP(EA), eV:	-9.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CN=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations