Geometry & MOs

Info

ID:	258368
PubChem CID:	103153259
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-170.43
Dipole, Da:	6.11
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations