Geometry & MOs

Info

ID:	177194
PubChem CID:	76145502
Reduced:	ClNO2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	214.098524
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	5.31
IP(EA), eV:	-8.84(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane;hydrochloride

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)OC3CCOCC3.Cl

DOS

IR

Vibrations