Geometry & MOs

Info

ID:	14967
PubChem CID:	425510
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-165.4
Dipole, Da:	4.26
IP(EA), eV:	-10.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,5-dimethyl-4-oxo-3-azatricyclo[4.2.2.02,5]deca-7,9-diene-7,8-dicarboxylate

Drug info:

PubChemData

Smile

CC12C3C=CC(C1(NC2=O)C)C(=C3C(=O)OC)C(=O)OC

DOS

IR

Vibrations