Geometry & MOs

Info

ID:	90018
PubChem CID:	49965825
Reduced:	OSCl2N4H22C25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	465.251523
ΔH_f, kcal/mol:	26.58
Dipole, Da:	4.48
IP(EA), eV:	-8.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(3-methoxy-4-propoxyphenyl)methylidene]-1-methylpiperidin-4-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NCC4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations