Geometry & MOs

Info

ID:	412715
PubChem CID:	135085629
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-0.27
Dipole, Da:	4.28
IP(EA), eV:	-11.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-2,2-dimethyl-5-oxocyclohexyl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCN1C(=NN=N1)C(=O)C

DOS

IR

Vibrations