Geometry & MOs

Info

ID:	949
PubChem CID:	3568
Reduced:	O4C8H9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	338.100168
ΔH_f, kcal/mol:	-298.93
Dipole, Da:	5.28
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

COCC1=CC(=C(C(=C1C2=C(C(=C(C=C2COC)O)O)O)O)O)O

DOS

IR

Vibrations