Geometry & MOs

Info

ID:	23021
PubChem CID:	600886
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	4.56
IP(EA), eV:	-9.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2,6-dihydro-1H-4-benzoxonine-3,7-dione

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=CC=CC=C2CCC(=O)O1)C

DOS

IR

Vibrations