Geometry & MOs

Info

ID:	167829
PubChem CID:	74883672
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	4.58
IP(EA), eV:	-9.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(2-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCC3C2CNC3

DOS

IR

Vibrations