Geometry & MOs

Info

ID:	17378
PubChem CID:	494712
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-95.57
Dipole, Da:	1.57
IP(EA), eV:	-9.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7a-methyl-3a-prop-2-enyl-3,7-dihydro-2H-indene-1,4-dione

Drug info:

PubChemData

Smile

CC12CC=C(C(=O)C1(CCC2=O)CC=C)O

DOS

IR

Vibrations