Geometry & MOs

Info

ID:	265740
PubChem CID:	103543570
Reduced:	NO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	224.084872
ΔH_f, kcal/mol:	-176.54
Dipole, Da:	3.52
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1OC(=O)C2=CC3=C(C=C2N)OCO3

DOS

IR

Vibrations