Geometry & MOs

Info

ID:	135559
PubChem CID:	51892319
Reduced:	NOF3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	-176.95
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033376
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

C[C@@](CO)(C1=CC(=CC=C1)C(F)(F)F)[NH3+]

DOS

IR

Vibrations