Geometry & MOs

Info

ID:	7983
PubChem CID:	74564
Reduced:	O3H7C10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	350.079038
ΔH_f, kcal/mol:	-166.84
Dipole, Da:	4.75
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[1-(2-hydroxy-4-oxochromen-3-yl)ethyl]chromen-4-one

Drug info:

PubChemData

Smile

CC(C1=C(OC2=CC=CC=C2C1=O)O)C3=C(OC4=CC=CC=C4C3=O)O

DOS

IR

Vibrations