Geometry & MOs

Info

ID:	293670
PubChem CID:	117395749
Reduced:	OF3N3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	257.069951
ΔH_f, kcal/mol:	-129.78
Dipole, Da:	10.31
IP(EA), eV:	-8.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CN1C(=C/C(=C\2/C=C(C=CC2=O)C(F)(F)F)/N1)N

DOS

IR

Vibrations