Geometry & MOs

Info

ID:	6559
PubChem CID:	68876
Reduced:	ClNO5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	395.149951
ΔH_f, kcal/mol:	-201.41
Dipole, Da:	7.5
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate

Drug info:

PubChemData

Smile

CCN(CC)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC)Cl)OC1=O)C

DOS

IR

Vibrations