Geometry & MOs

Info

ID:	161986
PubChem CID:	57393245
Reduced:	ClNO2F3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	327.077454
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	2.02
IP(EA), eV:	-9.99(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-3-yl)-2-[2-(1-methylpyrazol-4-yl)phenoxy]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)OCC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations