Geometry & MOs

Info

ID:	258838
PubChem CID:	103157197
Reduced:	FN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-203.08
Dipole, Da:	10.1
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-aminoethyl)benzoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)N)F

DOS

IR

Vibrations