Geometry & MOs

Info

ID:	411313
PubChem CID:	135084126
Reduced:	BrMgN2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	7.7
Dipole, Da:	2.34
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azido-2-hept-1-ynylcyclohexane

Drug info:

PubChemData

Smile

C1=CC2=C([N-]C=C2)N=C1.[Mg+2].[Br-]

DOS

IR

Vibrations