Geometry & MOs

Info

ID:	230062
PubChem CID:	87569986
Reduced:	ClOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	3.08
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-(1-benzofuran-2-yl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(Cl)Cl)O

DOS

IR

Vibrations