Geometry & MOs

Info

ID:	47710
PubChem CID:	10534882
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	3.64
IP(EA), eV:	-9.78(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2,4-dimethylcyclopentane-1,3-dione

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@@](C1)(C(=O)C2)O

DOS

IR

Vibrations