Geometry & MOs

Info

ID:	220362
PubChem CID:	85177516
Reduced:	N3O5C10H15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-194.34
Dipole, Da:	5.97
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-3-(2-phenylethynyl)-1-azabicyclo[2.2.2]octan-3-ol

Drug info:

PubChemData

Smile

CC(=O)NC1=CN=C2N1C(C(C(C2O)O)O)CO

DOS

IR

Vibrations