Geometry & MOs

Info

ID:	213629
PubChem CID:	81064427
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	275.076928
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	4.09
IP(EA), eV:	-9.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2,4,6-trifluorobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C#CC1=CC=CC=C1

DOS

IR

Vibrations