Geometry & MOs

Info

ID:	267726
PubChem CID:	103586144
Reduced:	SF2N2O2H10C14 (1)
Stoich.:	AB2C2D2E10F14 (1)
Weight, g/mol:	212.112505
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	6.25
IP(EA), eV:	-9.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)piperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NS(=O)(=O)C2=CC=CC=C2C#N)F

DOS

IR

Vibrations