Geometry & MOs

Info

ID:	336479
PubChem CID:	127255486
Reduced:	ClNF2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	255.027391
ΔH_f, kcal/mol:	-189.82
Dipole, Da:	4.82
IP(EA), eV:	-9.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C[C@H](C(=O)O)N)F)F.Cl

DOS

IR

Vibrations