Geometry & MOs

Info

ID:	243922
PubChem CID:	99300604
Reduced:	FSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	5.66
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(2-chlorophenoxy)butan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations