Geometry & MOs

Info

ID:	413839
PubChem CID:	135086789
Reduced:	PO2H11C20F24 (1)
Stoich.:	AB2C11D20E24 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-1269.09
Dipole, Da:	3.45
IP(EA), eV:	-9.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-oxo-3-phenylcyclopentyl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations