Geometry & MOs

Info

ID:	169314
PubChem CID:	75088815
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	146.084398
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	6.38
IP(EA), eV:	-9.78(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

C1CNC(=O)NC1CCO

DOS

IR

Vibrations