Geometry & MOs

Info

ID:	373779
PubChem CID:	131320042
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	237.077677
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	2.62
IP(EA), eV:	-9.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C([C@H](CCO2)N)C(=C1)Cl

DOS

IR

Vibrations