Geometry & MOs

Info

ID:	258363
PubChem CID:	103153210
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	10.74
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(2-phenoxybutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)NC=C2

DOS

IR

Vibrations