Geometry & MOs

Info

ID:	144648
PubChem CID:	53392732
Reduced:	NOH9C12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	346.068867
ΔH_f, kcal/mol:	37.01
Dipole, Da:	3.47
IP(EA), eV:	-9.53(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,6-dihydroxy-3-(methoxymethoxy)-9-oxoxanthen-1-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=C(N=NC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)C

DOS

IR

Vibrations