Geometry & MOs

Info

ID:	67027
PubChem CID:	46505723
Reduced:	NBr2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	510.9781
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	2.18
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(3-bromo-4-fluorophenyl)methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

CC(N1C/C(=C\C2=CC(=C(C=C2)OC)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)OC)Br)/C1)C

DOS

IR

Vibrations