Geometry & MOs

Info

ID:	16945
PubChem CID:	480802
Reduced:	O5C25H26 (1)
Stoich.:	A5B25C26 (1)
Weight, g/mol:	406.178024
ΔH_f, kcal/mol:	-173.34
Dipole, Da:	8.24
IP(EA), eV:	-8.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)C

DOS

IR

Vibrations