Geometry & MOs

Info

ID:	188147
PubChem CID:	77673849
Reduced:	ClON2C21H29 (1)
Stoich.:	ABC2D21E29 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	2.79
IP(EA), eV:	-9.14(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-phenylmethoxyphenyl) 4-ethylpyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1CO)C3C(N2)CC(C4C3CNC4)C5=CC=CC=C5Cl

DOS

IR

Vibrations