Geometry & MOs

Info

ID:	24484
PubChem CID:	610580
Reduced:	BF2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	224.082016
ΔH_f, kcal/mol:	-297.55
Dipole, Da:	8.27
IP(EA), eV:	-9.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-difluoroboranyloxy-4-(4-methylphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

B(OC(=CC(=O)C)C1=CC=C(C=C1)C)(F)F

DOS

IR

Vibrations