Geometry & MOs

Info

ID:	135607
PubChem CID:	51900870
Reduced:	O11C21H24 (1)
Stoich.:	A11B21C24 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-438.82
Dipole, Da:	4.11
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,6S)-2,6-diethyl-4-oxopiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC=CC=C2C=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations