Geometry & MOs

Info

ID:	14766
PubChem CID:	419844
Reduced:	ClN2O6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	412.140114
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	6.33
IP(EA), eV:	-9.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-benzyl-6-cyano-2-azabicyclo[2.2.2]oct-5-en-1-yl)ethyl acetate;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

CC(C12CCC(CN1CC3=CC=CC=C3)C=C2C#N)OC(=O)C.OCl(=O)(O)O

DOS

IR

Vibrations