Geometry & MOs

Info

ID:	411590
PubChem CID:	135084422
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-0.49
Dipole, Da:	3.57
IP(EA), eV:	-9.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(8-azabicyclo[4.3.2]undecan-8-yl)-2-diazonioethenolate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CN1C2=NC=CC=N2

DOS

IR

Vibrations