Geometry & MOs

Info

ID:	82015
PubChem CID:	49855479
Reduced:	OF5N6H23C27 (1)
Stoich.:	AB5C6D23E27 (1)
Weight, g/mol:	464.227535
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	4.68
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]piperidin-4-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@](C1=CC(=C(C=C1)F)F)(C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N)C(F)(F)F

DOS

IR

Vibrations