Geometry & MOs

Info

ID:	13365
PubChem CID:	227686
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-69.86
Dipole, Da:	1.86
IP(EA), eV:	-10.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2C3CC(C2C1=O)C=C3

DOS

IR

Vibrations