Geometry & MOs

Info

ID:	24443
PubChem CID:	610343
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	5.37
IP(EA), eV:	-10.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-dioxo-2,4,6,7-tetrahydro-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(C1=O)CC(=O)CC2

DOS

IR

Vibrations