Geometry & MOs

Info

ID:	263416
PubChem CID:	103365957
Reduced:	S2N3O3C11H21 (1)
Stoich.:	A2B3C3D11E21 (1)
Weight, g/mol:	254.160598
ΔH_f, kcal/mol:	-132.62
Dipole, Da:	5.62
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCOC(C)(C)CNC1=C(C(=NS1)N)S(=O)(=O)CC

DOS

IR

Vibrations