Geometry & MOs

Info

ID:	19810
PubChem CID:	573235
Reduced:	SC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	156.097272
ΔH_f, kcal/mol:	-33.73
Dipole, Da:	2.65
IP(EA), eV:	-8.47(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene

Drug info:

PubChemData

Smile

CC1C2CCCCC2CS1

DOS

IR

Vibrations