Geometry & MOs

Info

ID:	185050
PubChem CID:	77247456
Reduced:	FO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	4.67
IP(EA), eV:	-7.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC3CCC(C3C2)N4CC(CC4C(=O)N)F

DOS

IR

Vibrations