Geometry & MOs

Info

ID:	56229
PubChem CID:	17422717
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	329.12949
ΔH_f, kcal/mol:	-25.88
Dipole, Da:	3.75
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C1CCCCC1)C2=NC=CS2)OC3=C(N=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations