Geometry & MOs

Info

ID:	129184
PubChem CID:	51071885
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	7.95
IP(EA), eV:	-9.39(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations