Geometry & MOs

Info

ID:	388701
PubChem CID:	134989942
Reduced:	ClOC3N3H5 (2)
Stoich.:	ABC3D3E5 (2)
Weight, g/mol:	206.057909
ΔH_f, kcal/mol:	59.42
Dipole, Da:	6.76
IP(EA), eV:	-8.98(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dihydroxy-4,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

C1=C(ON=[N+]1CC[N+]2=NOC(=C2)N)N.[Cl-].[Cl-]

DOS

IR

Vibrations