Geometry & MOs

Info

ID:	203198
PubChem CID:	79791966
Reduced:	BrClNF3O3C12H12 (1)
Stoich.:	ABCD3E3F12G12 (1)
Weight, g/mol:	315.069398
ΔH_f, kcal/mol:	-268.52
Dipole, Da:	4.17
IP(EA), eV:	-9.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NCCOC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations