Geometry & MOs

Info

ID:	124892
PubChem CID:	50901623
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	2.42
IP(EA), eV:	-9.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N\2CCCC/C2=C\C(=O)OC

DOS

IR

Vibrations