Geometry & MOs

Info

ID:	230320
PubChem CID:	87570641
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	403.199488
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	7.16
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]oxypentyl]-2,4-dimethyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C(C=C2OC)C#C)OC1=O)OC

DOS

IR

Vibrations