Geometry & MOs

Info

ID:	60660
PubChem CID:	26697361
Reduced:	FON3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	347.120068
ΔH_f, kcal/mol:	-40.54
Dipole, Da:	2.26
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-cyclopentylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)NC3CCCC3

DOS

IR

Vibrations