Geometry & MOs

Info

ID:	67061
PubChem CID:	46505785
Reduced:	O3C23H26 (1)
Stoich.:	A3B23C26 (1)
Weight, g/mol:	537.324294
ΔH_f, kcal/mol:	-80.2
Dipole, Da:	5.81
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-1-benzyl-3,5-bis[(4-pentoxyphenyl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O)OCC

DOS

IR

Vibrations