Geometry & MOs

Info

ID:	245024
PubChem CID:	99432154
Reduced:	NO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-212.74
Dipole, Da:	3.25
IP(EA), eV:	-8.25(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-(4-methoxyphenoxy)butanoylamino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations