Geometry & MOs

Info

ID:	21546
PubChem CID:	588885
Reduced:	OSC7H12 (1)
Stoich.:	ABC7D12 (1)
Weight, g/mol:	144.060886
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	4.07
IP(EA), eV:	-8.8(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanylcyclohexan-1-one

Drug info:

PubChemData

Smile

CSC1CCC(=O)CC1

DOS

IR

Vibrations