Geometry & MOs

Info

ID:	13291
PubChem CID:	224987
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	2.78
IP(EA), eV:	-10.45(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptanoylindene-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCC(=O)C1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations