Geometry & MOs

Info

ID:	155
PubChem CID:	2197
Reduced:	O3H12C16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	252.078644
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	1.54
IP(EA), eV:	-8.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)indene-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations