Geometry & MOs

Info

ID:	257563
PubChem CID:	103147091
Reduced:	F2O2N3C9H13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	248.158786
ΔH_f, kcal/mol:	-142.88
Dipole, Da:	1.0
IP(EA), eV:	-10.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(4-ethylcyclohexyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=NC=N1)CC(=O)CCOCC(F)F

DOS

IR

Vibrations