Geometry & MOs

Info

ID:	201310
PubChem CID:	79522146
Reduced:	FSN4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	298.068447
ΔH_f, kcal/mol:	48.56
Dipole, Da:	4.58
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)SC2=NC=CN=C2)C(=N)N)F

DOS

IR

Vibrations