Geometry & MOs

Info

ID:	47794
PubChem CID:	10535358
Reduced:	ClNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	2.26
IP(EA), eV:	-10.02(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,7R)-2-azabicyclo[3.2.1]octane-6,7-diol

Drug info:

PubChemData

Smile

C1C[NH2+][C@H]2C[C@@H]1[C@H]([C@@H]2O)O.[Cl-]

DOS

IR

Vibrations