Geometry & MOs

Info

ID:	21006
PubChem CID:	586711
Reduced:	FO2N4H11C17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	322.086604
ΔH_f, kcal/mol:	29.36
Dipole, Da:	8.12
IP(EA), eV:	-10.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[2-(4-fluorophenyl)-2-oxoethyl]-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile

Drug info:

PubChemData

Smile

C1C(=C(C(C1(C#N)C#N)(CC(=O)C2=CC=C(C=C2)F)C#N)N)C=O

DOS

IR

Vibrations