Geometry & MOs

Info

ID:	172387
PubChem CID:	75503410
Reduced:	ON2F3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	329.093104
ΔH_f, kcal/mol:	-189.48
Dipole, Da:	6.71
IP(EA), eV:	-9.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-4-(2-pyridin-3-ylacetyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC(=CC=C2)C(F)(F)F)CC(=O)N

DOS

IR

Vibrations