Geometry & MOs

Info

ID:	67001
PubChem CID:	46505675
Reduced:	NOH27C34 (1)
Stoich.:	ABC27D34 (1)
Weight, g/mol:	393.049876
ΔH_f, kcal/mol:	102.85
Dipole, Da:	2.56
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(2-chloro-6-fluorophenyl)methylidene]-1-methylpiperidin-4-one

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)/C(=C\C4=CC=CC5=CC=CC=C54)/CN1CC6=CC=CC=C6

DOS

IR

Vibrations