Geometry & MOs

Info

ID:	26954
PubChem CID:	805164
Reduced:	OSN3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	284.068473
ΔH_f, kcal/mol:	62.55
Dipole, Da:	4.9
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

DOS

IR

Vibrations