Geometry & MOs

Info

ID:	257576
PubChem CID:	103147183
Reduced:	FO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	246.117984
ΔH_f, kcal/mol:	-240.39
Dipole, Da:	7.39
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(1-propylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C(=O)CCOCC(F)F)OC1

DOS

IR

Vibrations