Geometry & MOs

Info

ID:	230324
PubChem CID:	87570652
Reduced:	NO6C21H31 (1)
Stoich.:	AB6C21D31 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	-218.75
Dipole, Da:	2.38
IP(EA), eV:	-8.57(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(E)-1-(4-ethoxyphenyl)ethylideneamino]oxybutyl]-2,4-dimethyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=NOCCCCC2COC(OC2)(C)C(=O)OC)C

DOS

IR

Vibrations