Geometry & MOs

Info

ID:	15096
PubChem CID:	429388
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-0.33
Dipole, Da:	5.27
IP(EA), eV:	-9.24(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-nitroso-12-azatricyclo[4.4.3.01,6]tridec-2-ene

Drug info:

PubChemData

Smile

C1CCC23CN(CC2(C1)CCC=C3)N=O

DOS

IR

Vibrations