Geometry & MOs

Info

ID:	262728
PubChem CID:	103312530
Reduced:	OF6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	339.96459
ΔH_f, kcal/mol:	-401.66
Dipole, Da:	4.45
IP(EA), eV:	-11.11(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methylpyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(C(C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations