Geometry & MOs

Info

ID:	54164
PubChem CID:	14733174
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	325.180857
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	1.63
IP(EA), eV:	-9.32(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R,5S)-2-chloro-1-methoxy-5-octyl-8-oxobicyclo[2.2.2]octane-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC/C=C\CO

DOS

IR

Vibrations