Geometry & MOs

Info

ID:	67037
PubChem CID:	46505741
Reduced:	OBr2F2H14C20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	583.01807
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	1.78
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C/C(=C\C2=CC(=C(C=C2)F)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/C1

DOS

IR

Vibrations