Geometry & MOs

Info

ID:	402754
PubChem CID:	135057139
Reduced:	Cl2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	188.040421
ΔH_f, kcal/mol:	-74.86
Dipole, Da:	3.61
IP(EA), eV:	-9.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-3-chloro-1-fluoro-1-phenylpropan-2-ol

Drug info:

PubChemData

Smile

C1CC=C(C(=O)C1)[C@H](C2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations