Geometry & MOs

Info

ID:	262721
PubChem CID:	103311452
Reduced:	O2F6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	276.094884
ΔH_f, kcal/mol:	-408.95
Dipole, Da:	3.63
IP(EA), eV:	-10.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-one

Drug info:

PubChemData

Smile

C1COCCC1C(=O)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations