Geometry & MOs

Info

ID:	230229
PubChem CID:	87570470
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	0.79
IP(EA), eV:	-9.2(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=NOCCCCC1COC(OC1)(C)C(=O)OC)C2=CC=C(C=C2)C

DOS

IR

Vibrations