Geometry & MOs

Info

ID:	50481
PubChem CID:	12013022
Reduced:	NOC7H9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	21.36
Dipole, Da:	3.79
IP(EA), eV:	-9.55(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-diethyl-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione

Drug info:

PubChemData

Smile

CCN1C2C=CC2C1=O

DOS

IR

Vibrations