Geometry & MOs

Info

ID:	314967
PubChem CID:	126624049
Reduced:	ClFNO3C24H31 (1)
Stoich.:	ABCD3E24F31 (1)
Weight, g/mol:	332.097936
ΔH_f, kcal/mol:	-195.16
Dipole, Da:	3.84
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-fluoro-4-phenylmethoxyphenyl)-cyclopentylmethanone

Drug info:

PubChemData

Smile

CN(C1CCCC1C(=O)O)C2=CC(=C(C=C2F)OCC34CC5CC(C3)CC(C5)C4)Cl

DOS

IR

Vibrations