Geometry & MOs

Info

ID:	413442
PubChem CID:	135086391
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	1.78
IP(EA), eV:	-10.51(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-3-[(4-methylphenyl)methylidene]-2-oxopiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C#CC)OC(=O)OC

DOS

IR

Vibrations