Geometry & MOs

Info

ID:	185051
PubChem CID:	77247457
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	6.89
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=CC=C(C=C3)C#N)NC(=O)C4CC(CN4)F

DOS

IR

Vibrations