Geometry & MOs

Info

ID:	167391
PubChem CID:	74819240
Reduced:	O6H14C15 (2)
Stoich.:	A6B14C15 (2)
Weight, g/mol:	404.110732
ΔH_f, kcal/mol:	-428.15
Dipole, Da:	0.81
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dihydroxy-6-(3,4,5-trihydroxyoxan-2-yl)oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O)O)O)O

DOS

IR

Vibrations