Geometry & MOs

Info

ID:	197260
PubChem CID:	78944684
Reduced:	BrCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	359.99728
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	3.07
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-bromo-4-[2-(trifluoromethyl)phenoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OC2=C(C(=CC=C2)Cl)Cl)Br)O

DOS

IR

Vibrations