Geometry & MOs

Info

ID:	296258
PubChem CID:	117564098
Reduced:	FN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	4.31
IP(EA), eV:	-9.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2,6-dimethylanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C(C(=O)O)N)F

DOS

IR

Vibrations