Geometry & MOs

Info

ID:	305311
PubChem CID:	124767985
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	7.18
IP(EA), eV:	-8.74(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1S,2R,3S,7S,8R,10S)-5,8-dicyano-3,10-diethoxy-9-oxatricyclo[6.2.2.02,7]dodeca-5,11-diene-7,11-dicarboxylate

Drug info:

PubChemData

Smile

CCO[C@H]1CC(=C[C@@]2([C@@H]1[C@@H]3[C@H](O[C@@]2(C=C3C(=O)OCC)C#N)OCC)C(=O)OCC)C#N

DOS

IR

Vibrations