Geometry & MOs

Info

ID:	296960
PubChem CID:	117602966
Reduced:	O2F3N3H20C21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	315.107085
ΔH_f, kcal/mol:	-132.14
Dipole, Da:	4.44
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methylphenyl)-3-(5-fluoropyridin-2-yl)cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2(CCC(C2)C3=CC4=C(C=C3)C=NN4C(F)F)C(=O)NO

DOS

IR

Vibrations