Geometry & MOs

Info

ID:	90034
PubChem CID:	49965884
Reduced:	NO5C30H39 (1)
Stoich.:	AB5C30D39 (1)
Weight, g/mol:	433.261694
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	1.43
IP(EA), eV:	-8.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(4-propan-2-yloxyphenyl)methylidene]-1-propylpiperidin-4-one

Drug info:

PubChemData

Smile

CCCN1C/C(=C\C2=CC(=C(C=C2)OCCC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)OCCC)OC)/C1

DOS

IR

Vibrations