Geometry & MOs

Info

ID:	230351
PubChem CID:	87570699
Reduced:	NO6C20H29 (1)
Stoich.:	AB6C20D29 (1)
Weight, g/mol:	405.251523
ΔH_f, kcal/mol:	-219.42
Dipole, Da:	9.62
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations