Geometry & MOs

Info

ID:	23955
PubChem CID:	607199
Reduced:	O3H10C13 (1)
Stoich.:	A3B10C13 (1)
Weight, g/mol:	214.062994
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	3.24
IP(EA), eV:	-10.0(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(phenyl)methyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=O)C=CC2=O)O

DOS

IR

Vibrations