Geometry & MOs

Info

ID:	34041
PubChem CID:	7889566
Reduced:	ClNO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	5.78
IP(EA), eV:	-8.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations