Geometry & MOs

Info

ID:	258329
PubChem CID:	103152970
Reduced:	ClN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-146.68
Dipole, Da:	8.5
IP(EA), eV:	-10.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CN=C(C=C1)Cl

DOS

IR

Vibrations