Geometry & MOs

Info

ID:	18992
PubChem CID:	552123
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	6.88
IP(EA), eV:	-9.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxolan-2-yl)-3,4-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)CCC1(C)C2OCCO2

DOS

IR

Vibrations