Geometry & MOs

Info

ID:	258345
PubChem CID:	103153096
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-213.88
Dipole, Da:	7.26
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations