Geometry & MOs

Info

ID:	257554
PubChem CID:	103146991
Reduced:	F3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	264.108562
ΔH_f, kcal/mol:	-291.21
Dipole, Da:	7.1
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations