Geometry & MOs

Info

ID:	390586
PubChem CID:	134999837
Reduced:	FOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	311.96089
ΔH_f, kcal/mol:	-291.39
Dipole, Da:	3.84
IP(EA), eV:	-11.2(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R)-3-(2-bromophenyl)oxiran-2-yl]-2,2,2-trifluoroethane-1,1-diol

Drug info:

PubChemData

Smile

CCCCC[C@@H]1[C@H](O1)C(C(F)(F)F)(O)O

DOS

IR

Vibrations