Geometry & MOs

Info

ID:	47953
PubChem CID:	10536036
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-135.24
Dipole, Da:	1.83
IP(EA), eV:	-9.69(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-acetyl-2,4-dimethylpentanoate

Drug info:

PubChemData

Smile

COC(CC[C@@H]1[C@@H](CCO1)C=C)OC

DOS

IR

Vibrations