Geometry & MOs

Info

ID:	67000
PubChem CID:	46505674
Reduced:	OH22C28 (1)
Stoich.:	AB22C28 (1)
Weight, g/mol:	465.209264
ΔH_f, kcal/mol:	63.56
Dipole, Da:	3.3
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-1-benzyl-3-(naphthalen-1-ylmethylidene)-5-(naphthalen-2-ylmethylidene)piperidin-4-one

Drug info:

PubChemData

Smile

C1C/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)/C(=C\C4=CC=CC5=CC=CC=C54)/C1

DOS

IR

Vibrations