Geometry & MOs

Info

ID:	216074
PubChem CID:	85085671
Reduced:	SO2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	6.89
IP(EA), eV:	-10.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1,4,9,9-tetramethylbicyclo[4.2.1]non-4-en-3-one

Drug info:

PubChemData

Smile

CC(CC#C)CS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations