Geometry & MOs

Info

ID:	67092
PubChem CID:	46505858
Reduced:	Br2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	472.89413
ΔH_f, kcal/mol:	-54.69
Dipole, Da:	2.29
IP(EA), eV:	-9.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(4-bromothiophen-2-yl)methylidene]-1-ethylpiperidin-4-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=C(C=C(C=C2)Br)OC)/C(=O)/C(=C/C3=C(C=C(C=C3)Br)OC)/C1

DOS

IR

Vibrations