Geometry & MOs

Info

ID:	197261
PubChem CID:	78944731
Reduced:	BrO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-198.55
Dipole, Da:	5.46
IP(EA), eV:	-9.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(2-tert-butyl-4-methylphenoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC2=CC=CC=C2C(F)(F)F)Br)O

DOS

IR

Vibrations