Geometry & MOs

Info

ID:	201893
PubChem CID:	79599181
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	0.88
IP(EA), eV:	-8.91(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-hydroxy-4-methoxybenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCC=CCCNCCOC

DOS

IR

Vibrations