Geometry & MOs

Info

ID:	159334
PubChem CID:	57269583
Reduced:	BF2O4H16C24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	224.084872
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	0.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.823850
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-one

Drug info:

PubChemData

Smile

[B](OC1=CC=C(C=C1)OC2=CC=C(C=C2)F)OC3=CC=C(C=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations