Geometry & MOs

Info

ID:	25606
PubChem CID:	627069
Reduced:	O2F3N4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	300.055322
ΔH_f, kcal/mol:	-160.41
Dipole, Da:	3.97
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-chloroethoxy)-3-phenylchromen-4-one

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NC2=CC=CC=C2)OCC(F)(F)F

DOS

IR

Vibrations