Geometry & MOs

Info

ID:	229110
PubChem CID:	87566972
Reduced:	TiCl2N2C20H32 (1)
Stoich.:	AB2C2D20E32 (1)
Weight, g/mol:	353.256609
ΔH_f, kcal/mol:	-50.49
Dipole, Da:	3.81
IP(EA), eV:	-8.75(-3.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-oxododecanoyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC[NH-].C[CH-]C1=CC=CC=C1C2=C(C=CC2)CN(C)C.Cl.Cl.[Ti+2]

DOS

IR

Vibrations