Geometry & MOs

Info

ID:	230323
PubChem CID:	87570651
Reduced:	ClON4H17C24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	114.85
Dipole, Da:	2.79
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-[1-(4-ethoxyphenyl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN4C=CC=CC4=C3C5=NC(=NC=C5)Cl

DOS

IR

Vibrations