Geometry & MOs

Info

ID:	230232
PubChem CID:	87570481
Reduced:	ON7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	55.88
Dipole, Da:	7.71
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)N)N1CCC(CC1)N2[C@@H](CN(C2=NC#N)CC3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations