Geometry & MOs

Info

ID:	45751
PubChem CID:	10517291
Reduced:	HN5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	286.047738
ΔH_f, kcal/mol:	259.83
Dipole, Da:	0.1
IP(EA), eV:	-9.7(-3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

C(#N)C1=C(N=C2C(=N1)NC3=NC(=C(N=C3N2)C#N)C#N)C#N

DOS

IR

Vibrations