Geometry & MOs

Info

ID:	396457
PubChem CID:	135028450
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	248.123486
ΔH_f, kcal/mol:	-133.21
Dipole, Da:	1.99
IP(EA), eV:	-9.39(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,10,10,11,11-pentamethyl-12-oxa-9-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

C1CCCCCC2COC3(CCCCC1)CC[C@H]2O3

DOS

IR

Vibrations