Geometry & MOs

Info

ID:	201978
PubChem CID:	79612396
Reduced:	SO2N3C15H31 (1)
Stoich.:	AB2C3D15E31 (1)
Weight, g/mol:	302.166414
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	4.47
IP(EA), eV:	-8.62(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylsulfonylpiperidin-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCN(CC1CCCN(C1)S(=O)(=O)C)C2CCC(CC2)N

DOS

IR

Vibrations