Geometry & MOs

Info

ID:	204994
PubChem CID:	80041561
Reduced:	NOSF4H5C11 (1)
Stoich.:	ABCD4E5F11 (1)
Weight, g/mol:	224.096106
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	4.78
IP(EA), eV:	-9.89(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluoropyridin-2-yl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C2=NC=C(S2)C=O)F

DOS

IR

Vibrations