Geometry & MOs

Info

ID:	90054
PubChem CID:	49966013
Reduced:	SN4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	451.055355
ΔH_f, kcal/mol:	42.91
Dipole, Da:	7.13
IP(EA), eV:	-8.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3E,5E)-3,5-bis[(2-chloro-6-fluorophenyl)methylidene]-4-oxopiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=C(S1)C#N)N

DOS

IR

Vibrations