Geometry & MOs

Info

ID:	124893
PubChem CID:	50901624
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	1.87
IP(EA), eV:	-8.78(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(E)-2-(4-acetyloxyphenyl)ethenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CCCCN1[C@H](C)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations