Geometry & MOs

Info

ID:	260174
PubChem CID:	103183790
Reduced:	F3N3O3C10H14 (1)
Stoich.:	A3B3C3D10E14 (1)
Weight, g/mol:	280.103477
ΔH_f, kcal/mol:	-215.09
Dipole, Da:	9.05
IP(EA), eV:	-10.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[1-[2-(3-methoxypropoxy)ethyl]pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

COCCCOCCN1C=C(N=N1)C(=O)C(F)(F)F

DOS

IR

Vibrations