Geometry & MOs

Info

ID:	4087
PubChem CID:	10725
Reduced:	O7H14C17 (1)
Stoich.:	A7B14C17 (1)
Weight, g/mol:	330.073953
ΔH_f, kcal/mol:	-202.76
Dipole, Da:	9.74
IP(EA), eV:	-8.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C(=C3C(=CC(=CC3=O)OC)O2)O)O)O

DOS

IR

Vibrations