Geometry & MOs

Info

ID:	36520
PubChem CID:	8007891
Reduced:	SF2O2N3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	4.31
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC1N2C(=NC3=CN=CC=C3)SC[C@@]2(C4=CC=C(C=C4)OC(F)F)O

DOS

IR

Vibrations