Geometry & MOs

Info

ID:	198726
PubChem CID:	79141973
Reduced:	FN2S2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	291.120547
ΔH_f, kcal/mol:	15.46
Dipole, Da:	2.86
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]-2-fluoroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC2=CSC=N2)F)N

DOS

IR

Vibrations