Geometry & MOs

Info

ID:	201640
PubChem CID:	79565368
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	236.121258
ΔH_f, kcal/mol:	5.23
Dipole, Da:	6.98
IP(EA), eV:	-8.42(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-fluorophenyl)methoxy]ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC(C(C1)(C#N)NC2CC2)CCN3CCS(=O)CC3

DOS

IR

Vibrations