Geometry & MOs

Info

ID:	31160
PubChem CID:	854883
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	324.099774
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	2.9
IP(EA), eV:	-8.35(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzoyloxy-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CC2=C([C@@H](N1)C3=CC=CC=C3Cl)NC4=CC=CC=C24

DOS

IR

Vibrations