Geometry & MOs

Info

ID:	50640
PubChem CID:	12013202
Reduced:	NSiO6C17H27 (1)
Stoich.:	ABC6D17E27 (1)
Weight, g/mol:	297.121237
ΔH_f, kcal/mol:	-306.6
Dipole, Da:	2.55
IP(EA), eV:	-9.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3Z)-3-[ethoxy(hydroxy)methylidene]-4-oxo-2-[(Z)-4-oxobut-2-enyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12[C@H](CC=C[C@H]1O[Si](C)(C)C)N(CCC2=O)C(=O)OC

DOS

IR

Vibrations