Geometry & MOs

Info

ID:	279946
PubChem CID:	103845856
Reduced:	ClN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	3.54
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2,6-dioxocyclohexyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)/C(=N/O)/N)Cl

DOS

IR

Vibrations