Geometry & MOs

Info

ID:	275338
PubChem CID:	103815279
Reduced:	NSCl2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	262.171499
ΔH_f, kcal/mol:	-166.76
Dipole, Da:	3.45
IP(EA), eV:	-10.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1(OCC(O1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations