Geometry & MOs

Info

ID:	258318
PubChem CID:	103152866
Reduced:	BrNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	219.110673
ΔH_f, kcal/mol:	-152.23
Dipole, Da:	7.32
IP(EA), eV:	-10.21(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethoxyacetyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations