Geometry & MOs

Info

ID:	272105
PubChem CID:	103724094
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	309.230394
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	4.98
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2,4-dimethyl-6-oxocyclohexyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1CCCCN1C(=O)OC(C)(C)C)C(=O)C2=CC=CO2

DOS

IR

Vibrations