Geometry & MOs

Info

ID:	26641
PubChem CID:	794412
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	2.92
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCN(C)C

DOS

IR

Vibrations