Geometry & MOs

Info

ID:	281805
PubChem CID:	103914391
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	6.62
IP(EA), eV:	-9.1(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(1-propylpiperidin-4-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

C[C@H](CCO)NC1CCCC1S(=O)(=O)C

DOS

IR

Vibrations