Geometry & MOs

Info

ID:	187649
PubChem CID:	77604275
Reduced:	NF3H30C42 (1)
Stoich.:	AB3C30D42 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	47.62
Dipole, Da:	0.92
IP(EA), eV:	-8.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methyl-4-methylsulfonylphenyl)piperazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C(C2=CC=C(C=C2)N(C3=CC=C(C=C3)C(=CC4=CC=CC=C4)F)C5=CC=C(C=C5)C(=CC6=CC=CC=C6)F)F

DOS

IR

Vibrations