Geometry & MOs

Info

ID:	297797
PubChem CID:	117631382
Reduced:	ON2F3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	320.113648
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	5.54
IP(EA), eV:	-9.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[2-(2,3,4-trifluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C(C(N1)(F)F)(C2=CC=CC=C2)F)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations