Geometry & MOs

Info

ID:	21893
PubChem CID:	593078
Reduced:	ClFO2H8C15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	274.019685
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	5.31
IP(EA), eV:	-9.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(3-fluorophenyl)chromen-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations