Geometry & MOs

Info

ID:	69346
PubChem CID:	46530783
Reduced:	SF3N3O3C14H16 (1)
Stoich.:	AB3C3D3E14F16 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-250.75
Dipole, Da:	11.36
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CN3C2=NS(=O)(=O)CC3)C(F)(F)F

DOS

IR

Vibrations