Geometry & MOs

Info

ID:	230347
PubChem CID:	87570693
Reduced:	ClON7H14C15 (1)
Stoich.:	ABC7D14E15 (1)
Weight, g/mol:	389.183838
ΔH_f, kcal/mol:	73.93
Dipole, Da:	3.34
IP(EA), eV:	-8.96(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4=CN=C(C=C4)Cl)N

DOS

IR

Vibrations