Geometry & MOs

Info

ID:	258377
PubChem CID:	103153343
Reduced:	NO3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	359.03684
ΔH_f, kcal/mol:	-273.11
Dipole, Da:	8.54
IP(EA), eV:	-10.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromophenoxy)propanoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCN1C(=O)CCC1=O

DOS

IR

Vibrations