Geometry & MOs

Info

ID:	341521
PubChem CID:	127264214
Reduced:	BrNaN2O2H4C6 (1)
Stoich.:	ABC2D2E4F6 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	10.94
IP(EA), eV:	-9.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)CC(=O)[O-])Br.[Na+]

DOS

IR

Vibrations