Geometry & MOs

Info

ID:	196525
PubChem CID:	78843034
Reduced:	ClF3N3O3C19H23 (1)
Stoich.:	AB3C3D3E19F23 (1)
Weight, g/mol:	317.142722
ΔH_f, kcal/mol:	-282.68
Dipole, Da:	6.67
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-3-ylpropyl 4-(4-fluorophenoxy)butanoate

Drug info:

PubChemData

Smile

COC(=O)C1CCCCN1C(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations