Geometry & MOs

Info

ID:	234421
PubChem CID:	92298401
Reduced:	SO3N4C21H40 (1)
Stoich.:	AB3C4D21E40 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	2.8
IP(EA), eV:	-8.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-nitrophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCCN3CCCCC3)C

DOS

IR

Vibrations