Geometry & MOs

Info

ID:	257557
PubChem CID:	103147029
Reduced:	SF2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	260.133634
ΔH_f, kcal/mol:	-169.45
Dipole, Da:	1.94
IP(EA), eV:	-9.2(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(5-ethyl-2-methylpyrazol-3-yl)butan-2-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCC(=O)CCOCC(F)F

DOS

IR

Vibrations