Geometry & MOs

Info

ID:	120845
PubChem CID:	50746919
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	3.49
IP(EA), eV:	-9.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)C

DOS

IR

Vibrations