Geometry & MOs

Info

ID:	400557
PubChem CID:	135048320
Reduced:	OS2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	415.235873
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	2.74
IP(EA), eV:	-8.66(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1'S,2'R,4'aS,5'S,8'aR)-4'a-cyano-1',2',5'-trimethylspiro[1,3-dioxolane-2,6'-3,4,5,7,8,8a-hexahydro-2H-naphthalene]-1'-yl]-1-(furan-3-yl)ethyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(SCC1)CC2=CC(SCC2)C/C(=C/CO)/C

DOS

IR

Vibrations