Geometry & MOs

Info

ID:	57127
PubChem CID:	22395369
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	6.58
IP(EA), eV:	-9.53(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl 4-oxocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)CC2

DOS

IR

Vibrations