Geometry & MOs

Info

ID:	396187
PubChem CID:	135027666
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-225.82
Dipole, Da:	0.44
IP(EA), eV:	-9.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-2-oxo-3-(3-oxobutyl)-3-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@](C1=O)(CCC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations