Geometry & MOs

Info

ID:	431271
PubChem CID:	135171342
Reduced:	ON3F6H11C12 (1)
Stoich.:	AB3C6D11E12 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	-318.14
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-5-methyl-4-(4-methylphenyl)pyrazole

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1C(F)(F)F)N)C2=C[C@H](CN2)C(F)(F)F

DOS

IR

Vibrations