Geometry & MOs

Info

ID:	49190
PubChem CID:	11528847
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-155.07
Dipole, Da:	2.86
IP(EA), eV:	-9.57(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1R,2R,3S,4S,5R,6S)-6-cyano-3-tricyclo[3.2.1.02,4]octanyl]-2-methylprop-1-enyl] acetate

Drug info:

PubChemData

Smile

C1CCCCC(=O)OCCOC/C=C/CCC1

DOS

IR

Vibrations