Geometry & MOs

Info

ID:	257543
PubChem CID:	103146919
Reduced:	O2F5H11C12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	326.10089
ΔH_f, kcal/mol:	-313.92
Dipole, Da:	5.05
IP(EA), eV:	-10.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-diethylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations