Geometry & MOs

Info

ID:	127876
PubChem CID:	51020420
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	85.87
Dipole, Da:	2.04
IP(EA), eV:	-8.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4S)-2-cyano-7-oxabicyclo[2.2.1]hept-5-en-2-yl] (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C\1/CN([C@H]2C[C@H]1CC(=O)C3=C2C4=CC=CC=C4N3)C

DOS

IR

Vibrations