Geometry & MOs

Info

ID:	45461
PubChem CID:	10513782
Reduced:	C17H28 (1)
Stoich.:	A17B28 (1)
Weight, g/mol:	232.041414
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	0.88
IP(EA), eV:	-8.67(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-9-thiatricyclo[3.3.1.03,7]nonane-1,5-dithiol

Drug info:

PubChemData

Smile

CCCCC(=C=CC1=CCCCC1)C(C)(C)C

DOS

IR

Vibrations