Geometry & MOs

Info

ID:	90033
PubChem CID:	49965881
Reduced:	OSN4C26H26 (1)
Stoich.:	ABC4D26E26 (1)
Weight, g/mol:	493.282823
ΔH_f, kcal/mol:	31.1
Dipole, Da:	3.7
IP(EA), eV:	-8.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C

DOS

IR

Vibrations