Geometry & MOs

Info

ID:	387927
PubChem CID:	134987433
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	2.24
IP(EA), eV:	-10.2(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-4,5-dimethylbicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

CC1CCC(=O)CC1C(C)C(=O)O

DOS

IR

Vibrations