Geometry & MOs

Info

ID:	230349
PubChem CID:	87570696
Reduced:	NO6C21H27 (1)
Stoich.:	AB6C21D27 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	6.59
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCC(CO1)CCCCCO/N=C/CC2=CC3=CC=CC=C3O2)C(=O)O

DOS

IR

Vibrations