Geometry & MOs

Info

ID:	184218
PubChem CID:	77128454
Reduced:	NF3O4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	279.071842
ΔH_f, kcal/mol:	-301.4
Dipole, Da:	6.08
IP(EA), eV:	-11.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-amino-2,2,2-trifluoroethyl)-3-hydroxy-4-methoxyphenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)C(=O)O)C(C(F)(F)F)N

DOS

IR

Vibrations