Geometry & MOs

Info

ID:	341151
PubChem CID:	127263586
Reduced:	ClN2O2C10H19 (1)
Stoich.:	AB2C2D10E19 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	1.79
IP(EA), eV:	-9.62(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(5-fluoropyridin-2-yl)oxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C1)CC2N.Cl

DOS

IR

Vibrations