Geometry & MOs

Info

ID:	289792
PubChem CID:	104373703
Reduced:	OF5H5C8 (1)
Stoich.:	AB5C5D8 (1)
Weight, g/mol:	309.98163
ΔH_f, kcal/mol:	-275.81
Dipole, Da:	4.54
IP(EA), eV:	-10.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)[C@@H](C(F)(F)F)O)F

DOS

IR

Vibrations