Geometry & MOs

Info

ID:	298002
PubChem CID:	117645801
Reduced:	SO3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	5.28
IP(EA), eV:	-9.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(4-methylcyclohexyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C=CS(=O)(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations