Geometry & MOs

Info

ID:	258342
PubChem CID:	103153079
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	291.071842
ΔH_f, kcal/mol:	-207.21
Dipole, Da:	4.17
IP(EA), eV:	-9.13(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations