Geometry & MOs

Info

ID:	243036
PubChem CID:	99215230
Reduced:	ClFON4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	459.09577
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	1.02
IP(EA), eV:	-8.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-bromophenyl)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)C2=CC(=NN2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations