Geometry & MOs

Info

ID:	292316
PubChem CID:	114916600
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	3.24
IP(EA), eV:	-9.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-(3,3,3-trifluoropropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

C#CC(=O)NC(CCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations