Geometry & MOs

Info

ID:	281962
PubChem CID:	103914606
Reduced:	NSO3C11H25 (1)
Stoich.:	ABC3D11E25 (1)
Weight, g/mol:	282.191898
ΔH_f, kcal/mol:	-166.03
Dipole, Da:	4.6
IP(EA), eV:	-9.2(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCCCC(C)CO

DOS

IR

Vibrations