Geometry & MOs

Info

ID:	26639
PubChem CID:	794403
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	5.05
IP(EA), eV:	-9.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperidine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC2=C1C(=O)CC(C2)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations