Geometry & MOs

Info

ID:	52323
PubChem CID:	12015154
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	242.074308
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	4.75
IP(EA), eV:	-9.61(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[(2S,3R)-3-phenyloxiran-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)(C#N)O

DOS

IR

Vibrations