Geometry & MOs

Info

ID:	8105
PubChem CID:	75018
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	4.02
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCC2=O)OC

DOS

IR

Vibrations