Geometry & MOs

Info

ID:	90027
PubChem CID:	49965866
Reduced:	OSF2N4H20C24 (1)
Stoich.:	ABC2D4E20F24 (1)
Weight, g/mol:	481.261694
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	7.28
IP(EA), eV:	-8.58(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1-benzyl-3,5-bis[(4-propan-2-yloxyphenyl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC(=C(C=C4)F)F)CC5=CC=CC=C5

DOS

IR

Vibrations