Geometry & MOs

Info

ID:	224250
PubChem CID:	85340735
Reduced:	O2S2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	2.55
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)acetate

Drug info:

PubChemData

Smile

CCC(C=CC(=O)OC)C1SCCCS1

DOS

IR

Vibrations