Geometry & MOs

Info

ID:	7357
PubChem CID:	72243
Reduced:	O7H16C18 (1)
Stoich.:	A7B16C18 (1)
Weight, g/mol:	344.089603
ΔH_f, kcal/mol:	-262.34
Dipole, Da:	7.99
IP(EA), eV:	-9.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=C(C(=CC(=C13)OC)O)C(=O)C(C2=O)(CC(=O)C)O)O

DOS

IR

Vibrations