Geometry & MOs

Info

ID:	341107
PubChem CID:	127263542
Reduced:	NO2F3C5H7 (2)
Stoich.:	AB2C3D5E7 (2)
Weight, g/mol:	163.076392
ΔH_f, kcal/mol:	-482.73
Dipole, Da:	10.05
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azabicyclo[3.1.1]heptan-6-ylmethanol;hydrochloride

Drug info:

PubChemData

Smile

CN1C[C@@H]2CN[C@@H]2C1.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations