Geometry & MOs

Info

ID:	230315
PubChem CID:	87570635
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	391.235873
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	5.09
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-(4-butylphenyl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)C5(CC5)C=O

DOS

IR

Vibrations