Geometry & MOs

Info

ID:	6738
PubChem CID:	69774
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	4.4
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxobenzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O

DOS

IR

Vibrations