Geometry & MOs

Info

ID:	965
PubChem CID:	3593
Reduced:	O3H7C8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	302.079038
ΔH_f, kcal/mol:	-213.63
Dipole, Da:	4.68
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O

DOS

IR

Vibrations