Geometry & MOs

Info

ID:	224738
PubChem CID:	85349140
Reduced:	O2C15H28 (1)
Stoich.:	A2B15C28 (1)
Weight, g/mol:	240.100643
ΔH_f, kcal/mol:	-124.41
Dipole, Da:	3.52
IP(EA), eV:	-9.59(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-1,3-dithiane

Drug info:

PubChemData

Smile

CCCCCCC=C1CC(OC1)OCCCC

DOS

IR

Vibrations