Geometry & MOs

Info

ID:	21106
PubChem CID:	587214
Reduced:	OS2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	296.126858
ΔH_f, kcal/mol:	-20.91
Dipole, Da:	1.57
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6-trimethyl-1-[2-(2-methyl-1,3-dithiolan-2-yl)ethenyl]-5-methylidene-7-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC1(CCC(=C)C2(C1(O2)C=CC3(SCCS3)C)C)C

DOS

IR

Vibrations