Geometry & MOs

Info

ID:	2667
PubChem CID:	8227
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	1.87
IP(EA), eV:	-10.18(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3

DOS

IR

Vibrations