Geometry & MOs

Info

ID:	283391
PubChem CID:	103979478
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	258.080456
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	7.97
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=C1)NC(=N2)C3CCCC3C(=O)O

DOS

IR

Vibrations