Geometry & MOs

Info

ID:	127483
PubChem CID:	51003421
Reduced:	O3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-260.54
Dipole, Da:	2.09
IP(EA), eV:	-9.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[4-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)OCCCCCCC2

DOS

IR

Vibrations