Geometry & MOs

Info

ID:	341923
PubChem CID:	127264616
Reduced:	ClNOSC9H14 (1)
Stoich.:	ABCDE9F14 (1)
Weight, g/mol:	255.027391
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	2.17
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)[C@@H](CO)N.Cl

DOS

IR

Vibrations