Geometry & MOs

Info

ID:	45590
PubChem CID:	10515293
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	2.35
IP(EA), eV:	-9.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)OC(=O)OCC2=CN=CC=C2

DOS

IR

Vibrations