Geometry & MOs

Info

ID:	1856
PubChem CID:	5213
Reduced:	O10H22C25 (1)
Stoich.:	A10B22C25 (1)
Weight, g/mol:	482.121297
ΔH_f, kcal/mol:	-340.92
Dipole, Da:	4.76
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

DOS

IR

Vibrations