Geometry & MOs

Info

ID:	203181
PubChem CID:	79790946
Reduced:	F3N3O3C8H10 (1)
Stoich.:	A3B3C3D8E10 (1)
Weight, g/mol:	342.9831
ΔH_f, kcal/mol:	-202.77
Dipole, Da:	0.99
IP(EA), eV:	-10.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-fluorophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=NON=C1CNC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations