Geometry & MOs

Info

ID:	374348
PubChem CID:	131327228
Reduced:	BrN2O2F3H6C8 (1)
Stoich.:	AB2C2D3E6F8 (1)
Weight, g/mol:	220.082347
ΔH_f, kcal/mol:	-215.67
Dipole, Da:	5.88
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-methyl-1-(trifluoromethyl)pyrazol-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)OC(F)(F)F)Br)C(=O)N

DOS

IR

Vibrations