Geometry & MOs

Info

ID:	216354
PubChem CID:	85086088
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-112.72
Dipole, Da:	7.96
IP(EA), eV:	-9.82(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(5-oxohex-2-enyl)indene-1,3-dione

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C=CC=C(C(=O)O)C(=O)O

DOS

IR

Vibrations