Geometry & MOs

Info

ID:	283092
PubChem CID:	103957784
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	3.4
IP(EA), eV:	-9.22(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[3-(2-methylphenoxy)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)N1C=CC=C1C(=O)NCC(C(=O)OC)O

DOS

IR

Vibrations