Geometry & MOs

Info

ID:	5108
PubChem CID:	12603
Reduced:	ClNO5C20H28 (1)
Stoich.:	ABC5D20E28 (1)
Weight, g/mol:	397.165601
ΔH_f, kcal/mol:	-242.81
Dipole, Da:	3.88
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]ethyl-diethylazanium;chloride

Drug info:

PubChemData

Smile

CC[NH+](CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.[Cl-]

DOS

IR

Vibrations