Geometry & MOs

Info

ID:	258249
PubChem CID:	103152257
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-212.25
Dipole, Da:	3.59
IP(EA), eV:	-9.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations