Geometry & MOs

Info

ID:	293996
PubChem CID:	117421501
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	5.52
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1-fluoroethyl)-3-methoxyphenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1CC3(CC3)N)OCCCO2)F

DOS

IR

Vibrations