Geometry & MOs

Info

ID:	257574
PubChem CID:	103147172
Reduced:	FOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	312.078485
ΔH_f, kcal/mol:	-214.08
Dipole, Da:	3.08
IP(EA), eV:	-10.16(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-[4-(trifluoromethoxy)phenyl]butan-2-one

Drug info:

PubChemData

Smile

CCC(CC)C(=O)CCOCC(F)F

DOS

IR

Vibrations