Geometry & MOs

Info

ID:	258935
PubChem CID:	103157472
Reduced:	OSN5C11H17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	271.11392
ΔH_f, kcal/mol:	52.43
Dipole, Da:	7.51
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluoroanilino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

COC(CC1=NN2C(=NN=C2S1)C3CCC3)CN

DOS

IR

Vibrations