Geometry & MOs

Info

ID:	257602
PubChem CID:	103147298
Reduced:	ClF2O2N3C12H18 (1)
Stoich.:	AB2C2D3E12F18 (1)
Weight, g/mol:	262.057214
ΔH_f, kcal/mol:	-151.2
Dipole, Da:	3.74
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-4-(2,2-difluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CN(C)CCN1C(=C(C=N1)Cl)C(=O)CCOCC(F)F

DOS

IR

Vibrations