Geometry & MOs

Info

ID:	67038
PubChem CID:	46505744
Reduced:	NBr2O3H25C28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	558.9781
ΔH_f, kcal/mol:	0.21
Dipole, Da:	4.68
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)Br)/CN(C2)CC4=CC=CC=C4)Br

DOS

IR

Vibrations