Geometry & MOs

Info

ID:	16944
PubChem CID:	480778
Reduced:	O5H16C20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	336.099774
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	10.82
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-7-one

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=O)C=CC4=C3O)C

DOS

IR

Vibrations