Geometry & MOs

Info

ID:	35816
PubChem CID:	7980359
Reduced:	ClN2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	354.110338
ΔH_f, kcal/mol:	-156.84
Dipole, Da:	2.29
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations