Geometry & MOs

Info

ID:	67089
PubChem CID:	46505851
Reduced:	O7C32H34 (1)
Stoich.:	A7B32C34 (1)
Weight, g/mol:	521.00242
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	5.56
IP(EA), eV:	-8.04(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(4-bromo-3-methoxyphenyl)methylidene]-1-ethylpiperidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/CC(C2)C4=CC=CC=C4)OC)OC

DOS

IR

Vibrations