Geometry & MOs

Info

ID:	289793
PubChem CID:	104373709
Reduced:	BrO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	297.98163
ΔH_f, kcal/mol:	-227.67
Dipole, Da:	5.13
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2C[C@@H](C(F)(F)F)O)Br

DOS

IR

Vibrations