Geometry & MOs

Info

ID:	215835
PubChem CID:	85085321
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.060886
ΔH_f, kcal/mol:	-109.41
Dipole, Da:	4.03
IP(EA), eV:	-9.68(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-3a,4,5,6,7,7a-hexahydro-2-benzothiophen-1-one

Drug info:

PubChemData

Smile

C1CCC2(CCCO2)CC(=O)C1

DOS

IR

Vibrations