Geometry & MOs

Info

ID:	127325
PubChem CID:	50998421
Reduced:	OSF2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	149.053165
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	1.6
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trifluoro-2-(trideuteriomethyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1S)F)F

DOS

IR

Vibrations