Geometry & MOs

Info

ID:	296975
PubChem CID:	117603913
Reduced:	ClFN6H24C26 (1)
Stoich.:	ABC6D24E26 (1)
Weight, g/mol:	355.138385
ΔH_f, kcal/mol:	82.8
Dipole, Da:	6.28
IP(EA), eV:	-8.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=NC=CN=C1)N2CC(=C(C=C2N)C3=CC4=C(C=C3)N=CN4CC5=CC(=CC=C5)F)Cl

DOS

IR

Vibrations