Geometry & MOs

Info

ID:	85546
PubChem CID:	49876709
Reduced:	Cl2N2O2C23H30 (1)
Stoich.:	A2B2C2D23E30 (1)
Weight, g/mol:	354.110825
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	2.63
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-(2-hydroxy-3-morpholin-4-ylpropoxy)-4-methylchromen-2-one;chloride

Drug info:

PubChemData

Smile

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.[Cl-].[Cl-]

DOS

IR

Vibrations