Geometry & MOs

Info

ID:	67122
PubChem CID:	46505914
Reduced:	O3N5C32H35 (1)
Stoich.:	A3B5C32D35 (1)
Weight, g/mol:	535.329774
ΔH_f, kcal/mol:	39.1
Dipole, Da:	9.52
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-3,5-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-1-ethylpiperidin-4-one

Drug info:

PubChemData

Smile

CC(N1C/C(=C\C2=CC(=C(C=C2)OC)CN3N=CC=C3)/C(=O)/C(=C/C4=CC(=C(C=C4)OC)CN5N=CC=C5)/C1)C

DOS

IR

Vibrations