Geometry & MOs

Info

ID:	218322
PubChem CID:	85089170
Reduced:	IO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	448.136947
ΔH_f, kcal/mol:	-205.22
Dipole, Da:	4.74
IP(EA), eV:	-9.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1(OC(C(O1)O)C(C2CCC(O2)CI)OCC3=CC=CC=C3)C

DOS

IR

Vibrations