Geometry & MOs

Info

ID:	340813
PubChem CID:	127263248
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	332.194737
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	0.87
IP(EA), eV:	-9.65(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;1-O-tert-butyl 3-O-ethyl 4-aminopiperidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)CN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations