Geometry & MOs

Info

ID:	261003
PubChem CID:	103213922
Reduced:	IOCl2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	236.077262
ΔH_f, kcal/mol:	12.43
Dipole, Da:	1.39
IP(EA), eV:	-9.74(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)C2=CC(=C(C=C2)I)Cl)Cl

DOS

IR

Vibrations