Geometry & MOs

Info

ID:	259177
PubChem CID:	103158494
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	6.27
IP(EA), eV:	-9.38(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(4-methylphenyl)methylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CN2CCCC2C#N)O

DOS

IR

Vibrations