Geometry & MOs

Info

ID:	270355
PubChem CID:	103636214
Reduced:	ClO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	252.133714
ΔH_f, kcal/mol:	-233.46
Dipole, Da:	5.82
IP(EA), eV:	-9.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)CCOCC(F)(F)F)Cl

DOS

IR

Vibrations