Geometry & MOs

Info

ID:	230348
PubChem CID:	87570695
Reduced:	NO6C21H27 (1)
Stoich.:	AB6C21D27 (1)
Weight, g/mol:	389.183838
ΔH_f, kcal/mol:	-189.6
Dipole, Da:	4.03
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=NOCCCCCC1COC(OC1)(C)C(=O)O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations