Geometry & MOs

Info

ID:	230308
PubChem CID:	87570627
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	403.199488
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	6.52
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-(2,3-dimethyl-1-benzofuran-6-yl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCNC1=CC(=O)C1=O

DOS

IR

Vibrations