Geometry & MOs

Info

ID:	289802
PubChem CID:	104373781
Reduced:	BrOF3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	204.076199
ΔH_f, kcal/mol:	-188.25
Dipole, Da:	1.1
IP(EA), eV:	-9.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3,4-dimethylphenyl)-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations