Geometry & MOs

Info

ID:	18022
PubChem CID:	534105
Reduced:	OC2H3N5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	226.067519
ΔH_f, kcal/mol:	171.09
Dipole, Da:	5.46
IP(EA), eV:	-10.0(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,4,6,8,10,11,12-octazatricyclo[7.3.0.03,7]dodeca-5,9,11-trien-5-yl)nitramide

Drug info:

PubChemData

Smile

C12C(NC3=NN=NN3N1)N=C(N2)N[N+](=O)[O-]

DOS

IR

Vibrations