Geometry & MOs

Info

ID:	23982
PubChem CID:	607311
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-99.33
Dipole, Da:	2.83
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzyl-4-cyano-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C2CC(=CN(C2C1C(=O)OC)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations