Geometry & MOs

Info

ID:	340881
PubChem CID:	127263316
Reduced:	ClN2O2C4H9 (1)
Stoich.:	AB2C2D4E9 (1)
Weight, g/mol:	187.99491
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	4.83
IP(EA), eV:	-9.91(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azabicyclo[3.1.0]hexane-1-carbonitrile;hydrobromide

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1)CN.Cl

DOS

IR

Vibrations