Geometry & MOs

Info

ID:	245554
PubChem CID:	99453855
Reduced:	OF4N5H15C20 (1)
Stoich.:	AB4C5D15E20 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	3.41
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)C4=CC=CC=C4F

DOS

IR

Vibrations