Geometry & MOs

Info

ID:	13515
PubChem CID:	240080
Reduced:	NO2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	139.063329
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	4.21
IP(EA), eV:	-10.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azabicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

C1CC2CC1C(=O)NC2=O

DOS

IR

Vibrations