Geometry & MOs

Info

ID:	169235
PubChem CID:	75077151
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	547.242673
ΔH_f, kcal/mol:	-191.37
Dipole, Da:	3.48
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)OC(C)(C)C)C1=CN(C=C1)C(=O)C=CC2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations