Geometry & MOs

Info

ID:	7513
PubChem CID:	73199
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	7.01
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-7-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C2=C(C(=COC2=CC1=O)C3=CC=C(C=C3)O)O)O)C

DOS

IR

Vibrations