Geometry & MOs

Info

ID:	261006
PubChem CID:	103214026
Reduced:	O2F5H9C11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	226.118064
ΔH_f, kcal/mol:	-308.61
Dipole, Da:	1.55
IP(EA), eV:	-9.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(2,2,2-trifluoroethoxy)heptan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)CC(=O)COCC(F)(F)F

DOS

IR

Vibrations