Geometry & MOs

Info

ID:	12116
PubChem CID:	130503
Reduced:	O6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	10.19
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=O)C=C(C3=C2O)OC)O)O)C

DOS

IR

Vibrations