Geometry & MOs

Info

ID:	259207
PubChem CID:	103158600
Reduced:	FO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	288.132136
ΔH_f, kcal/mol:	-175.16
Dipole, Da:	4.32
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)F)OCC(CC2CCCC2)O

DOS

IR

Vibrations