Geometry & MOs

Info

ID:	203202
PubChem CID:	79791970
Reduced:	N2F3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	293.067506
ΔH_f, kcal/mol:	-235.84
Dipole, Da:	5.13
IP(EA), eV:	-10.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(2,3,4,5-tetrafluorobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations