Geometry & MOs

Info

ID:	230350
PubChem CID:	87570697
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	379.199488
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	8.05
IP(EA), eV:	-9.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations