Geometry & MOs

Info

ID:	22270
PubChem CID:	596469
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-82.74
Dipole, Da:	6.32
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,3,4a,5,6,8,9a-heptamethyl-9H-xanthene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(CC3(C(=O)C(=C(C(=O)C3(O2)C)C)C)C)C(=C1O)C)C

DOS

IR

Vibrations