Geometry & MOs

Info

ID:	297599
PubChem CID:	117622912
Reduced:	ClF3N3O5H15C23 (1)
Stoich.:	AB3C3D5E15F23 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-281.25
Dipole, Da:	7.45
IP(EA), eV:	-9.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)OC(F)(F)F)C#N

DOS

IR

Vibrations