Geometry & MOs

Info

ID:	191398
PubChem CID:	78142712
Reduced:	NCl2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	480.235933
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	5.74
IP(EA), eV:	-9.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethoxymethoxy)-6-[7-(ethoxymethoxy)-3-hydroxy-5-oxooctyl]-7-methoxy-2-methylchromen-4-one

Drug info:

PubChemData

Smile

C1C(N(C(=O)O1)C(=O)CC2=C(C(=CC=C2)Cl)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations