Geometry & MOs

Info

ID:	225509
PubChem CID:	85852601
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	241.075036
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	3.67
IP(EA), eV:	-8.51(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-fluorophenyl)ethylamino]propanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations