Geometry & MOs

Info

ID:	24950
PubChem CID:	615115
Reduced:	BrON2F3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	269.96156
ΔH_f, kcal/mol:	-164.98
Dipole, Da:	3.5
IP(EA), eV:	-9.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)C)C(F)(F)F)Br

DOS

IR

Vibrations