Geometry & MOs

Info

ID:	258387
PubChem CID:	103153386
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	231.110673
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	3.21
IP(EA), eV:	-9.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(CC(=O)O)OC)Cl

DOS

IR

Vibrations