Geometry & MOs

Info

ID:	5887
PubChem CID:	13958
Reduced:	ClNO6C15H20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	345.097915
ΔH_f, kcal/mol:	-255.43
Dipole, Da:	8.46
IP(EA), eV:	-8.68(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dihydroxy-4-methyl-7-oxochromen-8-yl)methyl-bis(2-hydroxyethyl)azanium;chloride

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=O)C(=C2OC(=C1)O)C[NH+](CCO)CCO)O.[Cl-]

DOS

IR

Vibrations