Geometry & MOs

Info

ID:	234418
PubChem CID:	92298396
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	5.02
IP(EA), eV:	-8.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations