Geometry & MOs

Info

ID:	293469
PubChem CID:	117390441
Reduced:	F2N3O3H7C10 (1)
Stoich.:	A2B3C3D7E10 (1)
Weight, g/mol:	255.074287
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	2.2
IP(EA), eV:	-10.24(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-2-carboxyethyl)-2-hydroxy-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1C(=O)O)F)F)C2=NOC(=N2)CN

DOS

IR

Vibrations