Geometry & MOs

Info

ID:	7518
PubChem CID:	73206
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-144.88
Dipole, Da:	12.75
IP(EA), eV:	-8.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-7-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC(=C1)C2=CC(=C3C(=CC(=O)C=C3O2)O)O)O)C

DOS

IR

Vibrations