Geometry & MOs

Info

ID:	186444
PubChem CID:	77434485
Reduced:	BFO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	236.084872
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.050440
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoroethylidene)-1-(2-hydroxy-4-methylphenyl)butane-1,3-dione

Drug info:

PubChemData

Smile

[B](C)C(=CCF)C(=O)C1=CC=CC=C1O

DOS

IR

Vibrations