Geometry & MOs

Info

ID:	178335
PubChem CID:	76311636
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	566.335587
ΔH_f, kcal/mol:	18.44
Dipole, Da:	3.66
IP(EA), eV:	-8.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[8-(4-tert-butylphenyl)octylamino]-(2,4-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=CC2=C/C(=N/NC3=CC=C(C=C3)OC)/C=C(C2=O)OC

DOS

IR

Vibrations