Geometry & MOs

Info

ID:	166385
PubChem CID:	74681525
Reduced:	O3F6H7C10 (1)
Stoich.:	A3B6C7D10 (1)
Weight, g/mol:	290.037763
ΔH_f, kcal/mol:	-394.84
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769563
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,2-trifluoroacetyl)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(C(=O)C(=C(C(F)(F)F)[O-])C1)C(=O)C(F)(F)F

DOS

IR

Vibrations