Geometry & MOs

Info

ID:	281931
PubChem CID:	103914569
Reduced:	NSO3C12H27 (1)
Stoich.:	ABC3D12E27 (1)
Weight, g/mol:	296.207548
ΔH_f, kcal/mol:	-170.07
Dipole, Da:	2.63
IP(EA), eV:	-9.19(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC(C)CS(=O)(=O)CC)CO

DOS

IR

Vibrations