Geometry & MOs

Info

ID:	27651
PubChem CID:	822828
Reduced:	FO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	346.084124
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	5.13
IP(EA), eV:	-9.48(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations