Geometry & MOs

Info

ID:	230421
PubChem CID:	87570865
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-180.49
Dipole, Da:	1.06
IP(EA), eV:	-8.84(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NOCCCCC2COC(OC2)(C)C(=O)OC)C

DOS

IR

Vibrations